About us

About us

What we offer

esqLABS is a competent service partner to support decision making processes at various mile-stones along the entire life cycle of pharmaceutical products from research through development and at the point of care.

Pharma R&D

Specialty Patient Care

We help increase efficiency (reduce time and cost) by integration of R&D data within our modeling & simulation frameworks to

  • build knowledge and improve understanding
    of drug & disease
  • deliver informed input for Go/NoGo decisions

We leverage R&D knowledge within our modeling & simulation frameworks to

  • improve dosing to efficiently and safely reach the personalized treatment goal
  • increase quality of care by reducing drug adverse events, and follow up costs
E

Pharma R&D

We help increase efficiency (reduce time and cost) by integration of R&D data within our modeling & simulation frameworks to

  • build knowledge and improve understanding of drug & disease
  • deliver informed input for Go/NoGo decisions
C

Specialty Patient Care

We leverage R&D knowledge within our modeling & simulation frameworks to

  • improve dosing to efficiently and safely reach the personalized treatment goal
  • increase quality of care by reducing drug adverse events, and follow up costs

How we work

esqLABS is commited to deliver the quality our customers expect.
We utilize:

    • validated computational tools
    • scripted workflows for full reproducability of our results
    • and thorough documentation of our model development processes

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Our platforms are developed with the free-to-use software tool Open-Systems-Pharmacology Suite consisting of PK-Sim® and MoBi®, which is capable of integrating biological knowledge and prior data for building and simulating models that integrate across (all) biological scales.  

Meet the Team

Stephan Schaller

PhD Computational Engineering

Principal Consultant, Founder & CEO 
Systems Pharmacologist & -Engineer

Pavel Balazki

MSc Bioinformatics

Consultant and QSP Platform Developer
Systems Pharmacologist

Stephan Schaller

PhD Computational Engineering

Principal Consultant, Founder & CEO
Systems Pharmacologist & -Engineer

About Stephan Schaller

Stephan Schaller is a Systems Scientist passionate about Model Based Drug Discovery, Development and Dosing (MI4D) with over eight years of industry experience. His experience ranges from target validation in the early phases of drug discovery to development of automated decision support systems for drug dosing at the point of care.

Stephan Schaller founded esqLABS GmbH to advance the integration of computational methods in healthcare to derive effective computational platforms for drug-, device- and treatment-development and -optimization (i.e. personalization).

During his time in industry, he has leveraged physiologically-based concepts for decision-making support to drug discovery and development teams in various therapeutic areas, including oncology, immunology, hematology, cardiovascular and metabolic disease.

Stephan Schaller studied Control Systems Engineering and Systems Biology at the University of Stuttgart, Germany and received his PhD from the RWTH Aachen University, Germany in collaboration with Bayer in Computational Engineering for the development of an automated decision support system for insulin dosing in type 1 diabetes patients.

List of Publications:

Peer Reviewed Journal Articles

Schaller S, et al.: A New Perspective on Closed-Loop Glucose Control Using a Physiology Based Pharmacokinetic / Pharmacodynamic Model Kernel. IFAC Paper, 8th IFAC Symposium on Biological and Medical Systems, 2012; doi:10.3182/20120829-3-HU-2029.00111

Krauss M, Schaller S, et al.: Integrating cellular metabolism into a multiscale whole-body model.  PLoS computational biology 8: e1002750.

Schaller S, et al.: A generic integrated physiologically-based whole-body model of the glucose-insulin-glucagon regulatory system. CPT: PSP 2013.

Schaller S, et al.: Robust MPC of blood glucose using generic whole-body physiology-based PK/PD model kernels. IEEE Transactions in Biomedical Engineering, 2015.

Wadehn F, Schaller S, et al.: A multiscale, model-based analysis of the multi-tissue interplay underlying blood glucose regulation in diabetes. EMBC 2016.

Lahoz-Beneytez J, Schaller S, et al.: Physiologically Based Simulations of Deuterated Glucose for Quantifying Cell Turnover in Humans. Frontiers in Immunology, 2017.

Schaller S, et al.: Blood glucose control in T1DM subjects- prospects for generic whole-body physiology-based PK/PD model kernels: Clinical Trial and Post-Hoc Study. In internal revision 2018.

Book Chapters

Lippert J. et al. (2015) Modeling and Simulation of In Vivo Drug Effects. In: Nielsch U., Fuhrmann U., Jaroch S. (eds) New Approaches to Drug Discovery. Handbook of Experimental Pharmacology, vol 232. Springer, Cham

Conference Talks

Schaller S, Eissing T, et al.:  A physiologically-based PK/PD model to capture population variability for diabetes research and automatic blood glucose control. PAGE Meeting, Venice, June 6, 2012

Schaller S, et al.: A New Perspective on Closed-Loop Glucose Control Using a Physiology-Based Pharmacokinetic / Pharmacodynamic Model Kernel. 8th IFAC Symposium on Biological and Medical Systems, Budapest, Hungary, 2012

Schaller S, Block M, et al.: The REACTION platform–Improving long-term Management of Diabetes-Personalized Diabetes Therapy and Automatic Blood Glucose Control. Medicine with SOA, Grid, and Cloud – transmed.infinity-3.de

Schaller S, et al.: Closed-Loop Insulin Delivery Using a Physiology-Based Pharmacokinetic / Pharmacodynamic Model Kernel. 6th International Conference on Advanced Technologies & Treatments for Diabetes (ATTD), Paris, France, 2013

Barrett J, Schaller S: Exendin-(9-39) for Treating Children with Congenital Hyperinsulinism. ASCPT Annual Meeting, Atlanta, USA, 2014

Schaller S: Next Generation PB-PK/PD Modeling: Beyond Small Molecules: PBPK of Biological Therapeutic. ASCPT Annual Meeting, New Orleans, USA, 2015

Schaller S: PB-PK/PD Modeling Beyond Small Molecules: A PBPK/PD Model of Glucose Homeostasis. ISSX, Cologne, Germany, 2017

Conference Posters

Presented multiple posters at different conferences (amongst others at ATTD 2012/13, LACDR Meeting 2014, PAGE 2014, ACoP 2014, ICSB 2016, PAGE 2017, PAGE 2018)

Pavel Balazki

MSc Bioinformatics

Consultant and PB-QSP Platform Developer
Systems Pharmacologist

About Pavel Balazki

Pavel is an interdisciplinary scientist with a solid experience in physiological modeling and programming skills. He focuses on the combination of modeling and software development to offer QSP platforms as integrated solutions.

Before joining esqLABS, Pavel acquired strong knowledge and expertise in mechanistic and physiologically based PK/PD modeling, biology, and human physiology. He has developed software tools for stochastic simulations of biological systems and graph database-based text analysis.

Pavel studied bioinformatics at the Goethe University in Frankfurt and completed his master’s thesis at Sanofi, where he was working on mechanistic modeling of diabetes. He then joined the Systems Pharmacology group at Bayer to work on his PhD thesis in collaboration with Professor Thorsten Lehr from the Clinical Pharmacy department of the University of Saarland.

List of Publications:

Balazki, P., Eissing, T., and Lehr, T. Physiologically-based pharmacokinetics/pharmacodynamics (PBPK/PD) systems pharmacology model of glucose homeostasis in human. Annual meeting of the German Pharmaceutical Society (DPhG) 2017, Saarbruecken, Germany

Balazki, P., Woerle, V., Schaller, S., Eissing, T., and Lehr, T. Physiologically-based Pharmacokinetics/Pharmacodynamics model of dapagliflozin, an oral SGLT2 inhibitor. Population Approach Group Europe (PAGE) meeting 2017, Budapest, Hungary

Balazki, P., Lindauer, K., Einloft, J., Ackermann, J., and Koch, I. MONALISA for stochastic simulations of Petri net models of biochemical systems. BMC Bioinformatics (2015) 16: 371

About Stephan Schaller

Stephan Schaller is a Systems Scientist passionate about Model Based Drug Discovery, Development and Dosing (MI4D) with over eight years of industry experience. His experience ranges from target validation in the early phases of drug discovery to development of automated decision support systems for drug dosing at the point of care.

Stephan Schaller founded esqLABS GmbH to advance the integration of computational methods in healthcare to derive effective computational platforms for drug-, device- and treatment-development and -optimization (i.e. personalization).

During his time in industry, he has leveraged physiologically-based concepts for decision-making support to drug discovery and development teams in various therapeutic areas, including oncology, immunology, hematology, cardiovascular and metabolic disease.

Stephan Schaller studied Control Systems Engineering and Systems Biology at the University of Stuttgart, Germany and received his PhD from the RWTH Aachen University, Germany in collaboration with Bayer in Computational Engineering for the development of an automated decision support system for insulin dosing in type 1 diabetes patients.

List of Publications:

Peer Reviewed Journal Articles

Schaller S, et al.: A New Perspective on Closed-Loop Glucose Control Using a Physiology Based Pharmacokinetic / Pharmacodynamic Model Kernel. IFAC Paper, 8th IFAC Symposium on Biological and Medical Systems, 2012; doi:10.3182/20120829-3-HU-2029.00111

Krauss M, Schaller S, et al.: Integrating cellular metabolism into a multiscale whole-body model.  PLoS computational biology 8: e1002750.

Schaller S, et al.: A generic integrated physiologically-based whole-body model of the glucose-insulin-glucagon regulatory system. CPT: PSP 2013.

Schaller S, et al.: Robust MPC of blood glucose using generic whole-body physiology-based PK/PD model kernels. IEEE Transactions in Biomedical Engineering, 2015.

Wadehn F, Schaller S, et al.: A multiscale, model-based analysis of the multi-tissue interplay underlying blood glucose regulation in diabetes. EMBC 2016.

Lahoz-Beneytez J, Schaller S, et al.: Physiologically Based Simulations of Deuterated Glucose for Quantifying Cell Turnover in Humans. Frontiers in Immunology, 2017.

Schaller S, et al.: Blood glucose control in T1DM subjects- prospects for generic whole-body physiology-based PK/PD model kernels: Clinical Trial and Post-Hoc Study. In internal revision 2018.

Book Chapters

Lippert J. et al. (2015) Modeling and Simulation of In Vivo Drug Effects. In: Nielsch U., Fuhrmann U., Jaroch S. (eds) New Approaches to Drug Discovery. Handbook of Experimental Pharmacology, vol 232. Springer, Cham

Conference Talks

Schaller S, Eissing T, et al.:  A physiologically-based PK/PD model to capture population variability for diabetes research and automatic blood glucose control. PAGE Meeting, Venice, June 6, 2012

Schaller S, et al.: A New Perspective on Closed-Loop Glucose Control Using a Physiology-Based Pharmacokinetic / Pharmacodynamic Model Kernel. 8th IFAC Symposium on Biological and Medical Systems, Budapest, Hungary, 2012

Schaller S, Block M, et al.: The REACTION platform–Improving long-term Management of Diabetes-Personalized Diabetes Therapy and Automatic Blood Glucose Control. Medicine with SOA, Grid, and Cloud – transmed.infinity-3.de

Schaller S, et al.: Closed-Loop Insulin Delivery Using a Physiology-Based Pharmacokinetic / Pharmacodynamic Model Kernel. 6th International Conference on Advanced Technologies & Treatments for Diabetes (ATTD), Paris, France, 2013

Barrett J, Schaller S: Exendin-(9-39) for Treating Children with Congenital Hyperinsulinism. ASCPT Annual Meeting, Atlanta, USA, 2014

Schaller S: Next Generation PB-PK/PD Modeling: Beyond Small Molecules: PBPK of Biological Therapeutic. ASCPT Annual Meeting, New Orleans, USA, 2015

Schaller S: PB-PK/PD Modeling Beyond Small Molecules: A PBPK/PD Model of Glucose Homeostasis. ISSX, Cologne, Germany, 2017

Conference Posters

Presented multiple posters at different conferences (amongst others at ATTD 2012/13, LACDR Meeting 2014, PAGE 2014, ACoP 2014, ICSB 2016, PAGE 2017, PAGE 2018)

About Pavel Balazki

Pavel is an interdisciplinary scientist with a solid experience in physiological modeling and programming skills. He focuses on the combination of modeling and software development to offer QSP platforms as integrated solutions.

Before joining esqLABS, Pavel acquired strong knowledge and expertise in mechanistic and physiologically based PK/PD modeling, biology, and human physiology. He has developed software tools for stochastic simulations of biological systems and graph database-based text analysis.

Pavel studied bioinformatics at the Goethe University in Frankfurt and completed his master’s thesis at Sanofi, where he was working on mechanistic modeling of diabetes. He then joined the Systems Pharmacology group at Bayer to work on his PhD thesis in collaboration with Professor Thorsten Lehr from the Clinical Pharmacy department of the University of Saarland.

List of Publications:

Balazki, P., Eissing, T., and Lehr, T. Physiologically-based pharmacokinetics/pharmacodynamics (PBPK/PD) systems pharmacology model of glucose homeostasis in human. Annual meeting of the German Pharmaceutical Society (DPhG) 2017, Saarbruecken, Germany

Balazki, P., Woerle, V., Schaller, S., Eissing, T., and Lehr, T. Physiologically-based Pharmacokinetics/Pharmacodynamics model of dapagliflozin, an oral SGLT2 inhibitor. Population Approach Group Europe (PAGE) meeting 2017, Budapest, Hungary

Balazki, P., Lindauer, K., Einloft, J., Ackermann, J., and Koch, I. MONALISA for stochastic simulations of Petri net models of biochemical systems. BMC Bioinformatics (2015) 16: 371

Marco Albrecht

PhD Systems Biology

QSP Scientist and Quality Manager
Bioengineer & Systems Biologist

Georgios Daskalakis

MSc Electrical and Software Engineering

Software Developer
Software Engineer

Marco Albrecht

PhD Systems Biology

QSP Scientist and Quality Manager
Bioengineer & Systems Biologist

About Marco Albrecht

Marco Albrecht is a Biosystems Engineer, who is passionate about combining natural science disciplines with the power of mathematics.

He was interdisciplinary trained in molecular biology, system theory, control engineering, and modelling from the first semester at the Otto-von-Guericke University in Magdeburg.  Magdeburg is a European hub for bottom-up modelling and harbours the Max-Planck Institute for the Dynamic of Complex Technical Systems.

Marco Albrecht has not only worked in four different hospital wards at an early age but also in several high-tech life-science start-ups and research incubators such as GenDx in the Netherlands, Optimata in Israel and BioMed X in Heidelberg as well as in several research groups such as the experimental dermatology group at the TU Dresden and the porous media department at the University of Bordeaux.

His Master´s thesis at the University of Heidelberg was on identifying differentially expressed features in transcriptome dynamics, and his dissertation at the University of Luxembourg was on mathematical histopathology and systems pharmacology of melanoma. Marco Albrecht reached in all research projects the highest possible grades and was funded by the prestigious EU Marie Skłodowska-Curie research grant.

Marco Albrecht brings substantial experience in modelling tissue physiology, systems biology and analysing omics-data to esqLABS and will act as QSP-platform developer. His first project will be in precision medicine for patients in intensive care units.

List of Publications:

Peer Reviewed Journal Articles

Marco Albrecht, Giuseppe Sciume, Philippe Lucarelli, and Thomas Sauter. Thermodynamically constrained averaging theory for cancer growth modelling. IFAC-PapersOnLine, 49(26):289{294, 2016.

Marco Albrecht, Damian Stichel, Benedikt Muller, Ruth Merkle, Carsten Sticht, Norbert Gretz, Ursula Klingmuller, Kai Breuhahn, and Franziska Matthaus. TTCA: an R package for the identi cation of di erentially expressed genes in time course microarray data. BMC bioinformatics, 18(1):33, 2017.

Margarita Gonzalez-Vallinas, Manuel Rodriguez-Paredes, Marco Albrecht, Carsten Sticht, Damian Stichel, Julian Gutekunst, Adriana Pitea, Steen Sass, Francisco J Sanchez-Rivera, Justo L Bermejo, et al. Epigenetically regulated chromosome 14q32 miRNA cluster induces metastasis and predicts poor prognosis in lung adenocarcinoma patients. Molecular Cancer Research, 2018.

Kotryna Seip, Kjetil Jorgensen, Marco Vincent Haselager, Marco Albrecht, Mads Haugland Haugen, Eivind Valen Egeland, Philippe Lucarelli, Olav Engebraaten, Thomas Sauter, Gunhild Mari Molandsmo, et al. Stroma-induced phenotypic plasticity offers phenotype-specific targeting to improve melanoma treatment. Cancer letters, 2018.

Marco Albrecht, Giuseppe Sciume, Francesca Maria Bosisio, Dagmar Kulms, and Thomas Sauter. Stroma oriented tissue modelling with a
micro-anatomical allocation of mechanical features using virtual rheometry. Planned for: Biomechanics and Modeling in Mechanobiology. (In Preparation)

Marco Albrecht, Yuri Kogan, Philippe Lucarelli, and Thomas Sauter. Systems pharmacology of dabrafenib metabolism: drug interaction, CYP3A4 enzyme induction, and e ect loss in hydrogels. Planned for: Nature Systems Biology and Applications. (In Preparation)

Marco Albrecht, Sebastien De Landtsheer, Philippe Lucarelli, Ines Mueller, Dagmar Kulms, and Thomas Sauter. Systems Biology approaches and computational models for cutaneous melanoma. Planned for: Pigment Cell & Melanoma Research. (In Preparation)

Georgios Daskalakis

MSc Electrical and Computer Engineering

Software Developer
Software Engineer

About Georgios Daskalakis

Georgios Daskalakis is an experienced Software Developer with over 4 years of customer centric experience in software development in various fields. He started programming for BTC AG, contributing to the further development of the software system PRINS, for monitoring and visualization of energy networks, writing code in C++. He continued his career at Daimler AG, where he developed Robotic Process Automation solutions with Blue Prism, C# and .NET. There he gained valuable experience of working closely with clients for the development of automated processes and also developed pilots for the use of AI solutions in the automation of backoffice processes.

 Georgios has obtained his Dipl.-Ing. (MSc) from the TU Athen in Greece with th Diploma Thesis on the “Use of feedforward neural networks with time delays for the early detection of epileptic seizures.”

About Marco Albrecht

Marco Albrecht is a Biosystems Engineer, who is passionate about combining natural science disciplines with the power of mathematics.

He was interdisciplinary trained in molecular biology, system theory, control engineering, and modelling from the first semester at the Otto-von-Guericke University in Magdeburg.  Magdeburg is a European hub for bottom-up modelling and harbours the Max-Planck Institute for the Dynamic of Complex Technical Systems.

Marco Albrecht has not only worked in four different hospital wards at an early age but also in several high-tech life-science start-ups and research incubators such as GenDx in the Netherlands, Optimata in Israel and BioMed X in Heidelberg as well as in several research groups such as the experimental dermatology group at the TU Dresden and the porous media department at the University of Bordeaux.

His Master´s thesis at the University of Heidelberg was on identifying differentially expressed features in transcriptome dynamics, and his dissertation at the University of Luxembourg was on mathematical histopathology and systems pharmacology of melanoma. Marco Albrecht reached in all research projects the highest possible grades and was funded by the prestigious EU Marie Skłodowska-Curie research grant.

Marco Albrecht brings substantial experience in modelling tissue physiology, systems biology and analysing omics-data to esqLABS and will act as QSP-platform developer. His first project will be in precision medicine for patients in intensive care units.

List of Publications:

Peer Reviewed Journal Articles

Marco Albrecht, Giuseppe Sciume, Philippe Lucarelli, and Thomas Sauter. Thermodynamically constrained averaging theory for cancer growth modelling. IFAC-PapersOnLine, 49(26):289{294, 2016.

Marco Albrecht, Damian Stichel, Benedikt Muller, Ruth Merkle, Carsten Sticht, Norbert Gretz, Ursula Klingmuller, Kai Breuhahn, and Franziska Matthaus. TTCA: an R package for the identi cation of di erentially expressed genes in time course microarray data. BMC bioinformatics, 18(1):33, 2017.

Margarita Gonzalez-Vallinas, Manuel Rodriguez-Paredes, Marco Albrecht, Carsten Sticht, Damian Stichel, Julian Gutekunst, Adriana Pitea, Steen Sass, Francisco J Sanchez-Rivera, Justo L Bermejo, et al. Epigenetically regulated chromosome 14q32 miRNA cluster induces metastasis and predicts poor prognosis in lung adenocarcinoma patients. Molecular Cancer Research, 2018.

Kotryna Seip, Kjetil Jorgensen, Marco Vincent Haselager, Marco Albrecht, Mads Haugland Haugen, Eivind Valen Egeland, Philippe Lucarelli, Olav Engebraaten, Thomas Sauter, Gunhild Mari Molandsmo, et al. Stroma-induced phenotypic plasticity offers phenotype-specific targeting to improve melanoma treatment. Cancer letters, 2018.

Marco Albrecht, Giuseppe Sciume, Francesca Maria Bosisio, Dagmar Kulms, and Thomas Sauter. Stroma oriented tissue modelling with a
micro-anatomical allocation of mechanical features using virtual rheometry. Planned for: Biomechanics and Modeling in Mechanobiology. (In Preparation)

Marco Albrecht, Yuri Kogan, Philippe Lucarelli, and Thomas Sauter. Systems pharmacology of dabrafenib metabolism: drug interaction, CYP3A4 enzyme induction, and e ect loss in hydrogels. Planned for: Nature Systems Biology and Applications. (In Preparation)

Marco Albrecht, Sebastien De Landtsheer, Philippe Lucarelli, Ines Mueller, Dagmar Kulms, and Thomas Sauter. Systems Biology approaches and computational models for cutaneous melanoma. Planned for: Pigment Cell & Melanoma Research. (In Preparation)

About Georgios Daskalakis

Georgios Daskalakis is an experienced Software Developer with over 4 years of customer centric experience in software development in various fields. He started programming for BTC AG, contributing to the further development of the software system PRINS, for monitoring and visualization of energy networks, writing code in C++. He continued his career at Daimler AG, where he developed Robotic Process Automation solutions with Blue Prism, C# and .NET. There he gained valuable experience of working closely with clients for the development of automated processes and also developed pilots for the use of AI solutions in the automation of backoffice processes.

 Georgios has obtained his Dipl.-Ing. (MSc) from the TU Athen in Greece with th Diploma Thesis on the “Use of feedforward neural networks with time delays for the early detection of epileptic seizures.”

Vanessa Baier

MSc Bioinformatics

Consultant PBPK Modeling
Systems Pharmacologist

Christian Maass

PhD Medical Physics

Senior Consultant / Research Scientist QSP
In-Vitro and QSP Systems Pharmacologist

Vanessa Baier

MSc. Bioinformatics

Consultant PBPK Modeling
Bioinformatician &
Expert IVIVE and DMPK

About Vanessa Baier

Vanessa is bioinformatician by training, with a focus on computational modeling in the field of systems biology/systems pharmacology. She has experience with lab data management tools, Bayesian population PBPK techniques, and the contextualization of in vitro data and mechanistic PBPK models. Her main area at esqLABS lies in vitro/in vivo extrapolation and toxicity modeling within PBPK QSP.

Vanessa studied computer science at TU Braunschweig and Bioinformatics at Goethe University Frankfurt. After an internship at Sanofi, she completed her master thesis at Bayer in the group of Complex Systems Modeling / Applied Mathematics. She then joined the group of Lars Kuepfer at RWTH Aachen University for working on her PhD.

List of Publications:

Peer Reviewed Journal Articles

Cordes H, Thiel C, Aschmann HE, Baier V, Blank LM, Kuepfer L. A Physiologically Based Pharmacokinetic Model of Isoniazid and Its Application in Individualizing Tuberculosis Chemotherapy. Antimicrob. Agents Chemother. 2016; 60(10):6134–45.

Cordes H, Thiel C, Baier V, Blank LM, Kuepfer L. Integration of genome-scale metabolic networks into whole-body PBPK models shows phenotype-specific cases of drug-induced metabolic perturbation. npj Systems Biology and Applications 2018; 4(1):10.

Kuepfer L, Clayton O, Thiel C, Cordes H, Nudischer R, Blank LM et al. A model-based assay design to reproduce in vivo patterns of acute drug-induced toxicity. Archives of Toxicology 2017.

Thiel C, Cordes H, Baier V, Blank LM, Kuepfer L. Multiscale modeling reveals inhibitory and stimulatory effects of caffeine on acetaminophen-induced toxicity in humans. CPT Pharmacometrics Syst Pharmacol 2017; 6(2):136–46.

Thiel C, Cordes H, Fabbri L, Aschmann HE, Baier V, Smit I et al. A Comparative Analysis of Drug-Induced Hepatotoxicity in Clinically Relevant Situations. PLoS Comput Biol 2017; 13(2):e1005280.
Thiel C, Smit I, Baier V, Cordes H, Fabry B, Blank LM et al. Using quantitative systems pharmacology to evaluate the drug efficacy of COX-2 and 5-LOX inhibitors in therapeutic situations. npj Systems Biology and Applications 2018; 4(1):28.

Conference Posters

Baier, V., Thiel, C., Cordes, H., Blank, L. M., Kuepfer, L. Developing a physiology-based model of the bile acid metabolism in men. Population Approach Group Europe (PAGE) meeting 2018, Montreux, Switzerland

Christian Maass

PhD Medical Physics

Senior Consultant / Research Scientist QSP
In-Vitro and QSP Systems Pharmacologist

About Christian Maass

Christian Maass is a physicist and computational biologist with over eight years of academic and industrial experience, where he established a strong national and international network. He is passionate about the integration of computational modeling and biological experiments for translational pharmacology applications.
Before joining esqLABS, Dr. Maass worked in various therapeutic areas, e.g. neurodegenerative, inflammatory, and metabolic diseases (Alzheimer, rheumatoid arthritis, NASH/NAFLD). Among others, he developed individualized PBPK models for molecular radiotherapy (leukemia), automated workflows for big data (*omics), network-based analysis of inflammation diseases, and mechanistic modeling of organ-on-chip data.
He received his Master in Medical Physics from the University College London in 2012 and PhD from the University of Heidelberg in 2015. As a postdoctoral researcher at the Massachusetts Institute of Technology (MIT), Cambridge, MA, USA, he focused on application-driven method development for microphysiological systems in safety pharmacology. In 2018, Christian joined Certara’s Quantitative Systems Pharmacology (QSP) team, working on liver disease models and leading projects to integrate organ-on-chip (OoC) and computational modeling for translational pharmacology applications.

Peer Reviewed Journal Articles:

  • Maass C, Stokes CL, Griffith LG, Cirit M. Multi-Functional Scaling Methodology for Translational Pharmacokinetic and Pharmacodynamic Applications using Integrated Microphysiological Systems (MPS). Integrative Biology. 2017;9(4):290-302.
  • Kletting P, Kull T, Maass C, Malik N, Luster M, Beer AJ, et al. Optimized Peptide Amount and Activity for (9)(0)Y-Labeled DOTATATE Therapy. Journal of Nuclear Medicine. 2016;57(4):503-8.
  • Kletting P and Maaß C, Reske S, Beer AJ, Glatting G. Physiologically Based Pharmacokinetic Modeling Is Essential in 90Y-Labeled Anti-CD66 Radioimmunotherapy. PLoS One. 2015;10(5):e0127934.
  • Maaß C, Rivas JRA, Attarwala AA, Hardiansyah D, Niedermoser S, Litau S, et al. Physiologically based pharmacokinetic modeling of 18F-SiFAlin-Asp3-PEG1-TATE in AR42J tumor bearing mice. Nuclear medicine and biology. 2016;43(4):243-6.
  • Maaß C, Kletting P, Beer A, Glatting G. Population-based modeling improves treatment planning for leukemia patients Cancer Biotherapy and Radiopharmaceuticals. 2015;30(7):285-90.
  • Hardiansyah D, Maass C, Attarwala AA, Müller B, Kletting P, Mottaghy FM, et al. The role of patient-based treatment planning in peptide receptor radionuclide therapy. Eur J Nucl Med Mol Imaging. 2016;43(5):871-80.
  • Maaß C, Sachs JP, Hardiansyah D, Mottaghy FM, Kletting P, Glatting G. Dependence of treatment planning accuracy in peptide receptor radionuclide therapy on the sampling schedule. EJNMMI Research. 2016;6(1):30.
  • Edington C, Chen WLK, …, Maass C, …, Griffith LG. Interconnected Microphysiological Systems for Quantitative Biology and Pharmacology Studies. Sci Rep. 2018; 8(1).
  • Maass C, Sorensen N, Geishecker E, Stokes CL, Cirit M. Translational Assessment of Drug‐Induced Proximal Tubule Injury Using a Kidney Microphysiological System. CPT:PSP. 2019; 8(5).
  • Maass C, Dallas M, LaBarge ME, Shockley M, Valdez J, Geishecker E, et al. Establishing quasi-steady state operations of microphysiological systems (MPS) using tissue-specific metabolic dependencies. Sci Rep. 2018.
  • Trapecar M, Communal C, Velazquez J, Maass C, …, Griffith L. Gut-Liver physiomimetics reveal paradoxical modulation of IBD-related inflammation by short-chain fatty acids. Cell Systems 2020.

Conference Talks:

  • PKUK 2019 in Stratford Upon Avon, UK: “Integration of OoC and QSP for Translational Pharmacology Applications”
  • American Society of Clinical Pharmacology and Therapeutics:
    • Presentation of: Multi-Functional Scaling for Integrated Multi-Microphysiological Systems (MPS) (2017)
    • Presentation of: Data-driven Modeling Approach of Human Tissue Chips for Translational Pharmacology Applications (2018)
  • Keystone Symposia: Organs – and Tissues-on-Chips (2018): in vitro Assessment of Drug-Induced Kidney Proximal Tubule Injury
  • Gordon Research Conference – Drug Safety (2016): Presentation of: Designing Microphysiological Systems: From Bedside to Bench
  • 44th Congress of the German Medical Physics Association (DGMP): Presentation of performed research in PBPK modeling of radiolabeled anti-CD66 antibodies in the treatment of leukaemia
About Vanessa Baier

Vanessa is bioinformatician by training, with a focus on computational modeling in the field of systems biology/systems pharmacology. She has experience with lab data management tools, Bayesian population PBPK techniques, and the contextualization of in vitro data and mechanistic PBPK models. Her main area at esqLABS lies in vitro/in vivo extrapolation and toxicity modeling within PBPK QSP
Vanessa studied computer science at TU Braunschweig and Bioinformatics at Goethe University Frankfurt. After an internship at Sanofi, she completed her master thesis at Bayer in the group of Complex Systems Modeling / Applied Mathematics. She then joined the group of Lars Kuepfer at RWTH Aachen University for working on her PhD.

List of Publications:

Peer Reviewed Journal Articles

Cordes H, Thiel C, Aschmann HE, Baier V, Blank LM, Kuepfer L. A Physiologically Based Pharmacokinetic Model of Isoniazid and Its Application in Individualizing Tuberculosis Chemotherapy. Antimicrob. Agents Chemother. 2016; 60(10):6134–45.
Cordes H, Thiel C, Baier V, Blank LM, Kuepfer L. Integration of genome-scale metabolic networks into whole-body PBPK models shows phenotype-specific cases of drug-induced metabolic perturbation. npj Systems Biology and Applications 2018; 4(1):10.
Kuepfer L, Clayton O, Thiel C, Cordes H, Nudischer R, Blank LM et al. A model-based assay design to reproduce in vivo patterns of acute drug-induced toxicity. Archives of Toxicology 2017.
Thiel C, Cordes H, Baier V, Blank LM, Kuepfer L. Multiscale modeling reveals inhibitory and stimulatory effects of caffeine on acetaminophen-induced toxicity in humans. CPT Pharmacometrics Syst Pharmacol 2017; 6(2):136–46.
Thiel C, Cordes H, Fabbri L, Aschmann HE, Baier V, Smit I et al. A Comparative Analysis of Drug-Induced Hepatotoxicity in Clinically Relevant Situations. PLoS Comput Biol 2017; 13(2):e1005280.
Thiel C, Smit I, Baier V, Cordes H, Fabry B, Blank LM et al. Using quantitative systems pharmacology to evaluate the drug efficacy of COX-2 and 5-LOX inhibitors in therapeutic situations. npj Systems Biology and Applications 2018; 4(1):28.

Conference Posters

Baier, V., Thiel, C., Cordes, H., Blank, L. M., Kuepfer, L. Developing a physiology-based model of the bile acid metabolism in men. Population Approach Group Europe (PAGE) meeting 2018, Montreux, Switzerlan

About Christian Maass

Christian Maass is a physicist and computational biologist with over eight years of academic and industrial experience, where he established a strong national and international network. He is passionate about the integration of computational modeling and biological experiments for translational pharmacology applications.
Before joining esqLABS, Dr. Maass worked in various therapeutic areas, e.g. neurodegenerative, inflammatory, and metabolic diseases (Alzheimer, rheumatoid arthritis, NASH/NAFLD). Among others, he developed individualized PBPK models for molecular radiotherapy (leukemia), automated workflows for big data (*omics), network-based analysis of inflammation diseases, and mechanistic modeling of organ-on-chip data.
He received his Master in Medical Physics from the University College London in 2012 and PhD from the University of Heidelberg in 2015. As a postdoctoral researcher at the Massachusetts Institute of Technology (MIT), Cambridge, MA, USA, he focused on application-driven method development for microphysiological systems in safety pharmacology. In 2018, Christian joined Certara’s Quantitative Systems Pharmacology (QSP) team, working on liver disease models and leading projects to integrate organ-on-chip (OoC) and computational modeling for translational pharmacology applications.

Peer Reviewed Journal Articles:

  • Maass C, Stokes CL, Griffith LG, Cirit M. Multi-Functional Scaling Methodology for Translational Pharmacokinetic and Pharmacodynamic Applications using Integrated Microphysiological Systems (MPS). Integrative Biology. 2017;9(4):290-302.
  • Kletting P, Kull T, Maass C, Malik N, Luster M, Beer AJ, et al. Optimized Peptide Amount and Activity for (9)(0)Y-Labeled DOTATATE Therapy. Journal of Nuclear Medicine. 2016;57(4):503-8.
  • Kletting P and Maaß C, Reske S, Beer AJ, Glatting G. Physiologically Based Pharmacokinetic Modeling Is Essential in 90Y-Labeled Anti-CD66 Radioimmunotherapy. PLoS One. 2015;10(5):e0127934.
  • Maaß C, Rivas JRA, Attarwala AA, Hardiansyah D, Niedermoser S, Litau S, et al. Physiologically based pharmacokinetic modeling of 18F-SiFAlin-Asp3-PEG1-TATE in AR42J tumor bearing mice. Nuclear medicine and biology. 2016;43(4):243-6.
  • Maaß C, Kletting P, Beer A, Glatting G. Population-based modeling improves treatment planning for leukemia patients Cancer Biotherapy and Radiopharmaceuticals. 2015;30(7):285-90.
  • Hardiansyah D, Maass C, Attarwala AA, Müller B, Kletting P, Mottaghy FM, et al. The role of patient-based treatment planning in peptide receptor radionuclide therapy. Eur J Nucl Med Mol Imaging. 2016;43(5):871-80.
  • Maaß C, Sachs JP, Hardiansyah D, Mottaghy FM, Kletting P, Glatting G. Dependence of treatment planning accuracy in peptide receptor radionuclide therapy on the sampling schedule. EJNMMI Research. 2016;6(1):30.
  • Edington C, Chen WLK, …, Maass C, …, Griffith LG. Interconnected Microphysiological Systems for Quantitative Biology and Pharmacology Studies. Sci Rep. 2018; 8(1).
  • Maass C, Sorensen N, Geishecker E, Stokes CL, Cirit M. Translational Assessment of Drug‐Induced Proximal Tubule Injury Using a Kidney Microphysiological System. CPT:PSP. 2019; 8(5).
  • Maass C, Dallas M, LaBarge ME, Shockley M, Valdez J, Geishecker E, et al. Establishing quasi-steady state operations of microphysiological systems (MPS) using tissue-specific metabolic dependencies. Sci Rep. 2018.
  • Trapecar M, Communal C, Velazquez J, Maass C, …, Griffith L. Gut-Liver physiomimetics reveal paradoxical modulation of IBD-related inflammation by short-chain fatty acids. Cell Systems 2020.

Conference Talks:

  • PKUK 2019 in Stratford Upon Avon, UK: “Integration of OoC and QSP for Translational Pharmacology Applications”
  • American Society of Clinical Pharmacology and Therapeutics:
    • Presentation of: Multi-Functional Scaling for Integrated Multi-Microphysiological Systems (MPS) (2017)
    • Presentation of: Data-driven Modeling Approach of Human Tissue Chips for Translational Pharmacology Applications (2018)
  • Keystone Symposia: Organs – and Tissues-on-Chips (2018): in vitro Assessment of Drug-Induced Kidney Proximal Tubule Injury
  • Gordon Research Conference – Drug Safety (2016): Presentation of: Designing Microphysiological Systems: From Bedside to Bench
  • 44th Congress of the German Medical Physics Association (DGMP): Presentation of performed research in PBPK modeling of radiolabeled anti-CD66 antibodies in the treatment of leukaemia

Frederico Martins

PhD Pharmaceutical Sciences

Associate Director PBPK and Senior Consultant
Systems Pharmacologist & Scientific Lead PBPK

Abdel Rodriguez

PhD Computer Sciences

Research Software Engineer
Software Development and Machine Learning

Frederico Martins

PhD Pharmaceutical Sciences

Associate Director PBPK and Senior Consultant
Systems Pharmacologist & Scientific Lead PBPK

About Frederico Martins

Dr. Frederico Martins is pharmacist with a PhD in Pharmaceutical Sciences from the University of São Paulo, Brazil. Prior to joining esqLABS, Dr. Martins worked as a pharmacometrics leader at Galapagos Pharmaceuticals in Paris, France, and Certara’s SimCYP division in Sheffield, England. At Galapagos he was responsible for implementation and application of PBPK models to guide drug development and translational strategies. He contributed to key decisions for oral drugs entering the clinical stage, formulation development, drug-drug interaction, late stage development, as well as translational evaluation of drugs for rare diseases. During his time working at Certara, Dr. Martins was deeply involved with the development and qualification of Simcyp dermal platform, and training courses. He has hands-on experience in IVIVE, IVIVC, first-in-human dose selection and application of PBPK in formulation development. His primary focus area at the moment is anti-inflammatory, pulmonary fibrosis, immunology and skin diseases.  Since 2019, Dr. Martins is a visiting professor at State University of Maringá, Brazil, collaborating with the post-graduate program in pharmaceutical science as graduate students’ co-supervisor.

List of Publications:

Peer Reviewed Journal Articles

  • Martins FS, Sy SKB, Fonseca MJV, de Freitas O. Pharmacokinetics, Pharmacodynamics and Dermal Distribution of 5-Methoxypsoralen Based on a Physiologically Based Pharmacokinetic Model to Support Phytotherapy Using Brosimum gaudichaudii. Planta Med 2020; 86: 276–283
  • Biesdorf C, Martins FS, Sy SKB, Diniz A. Physiologically-based pharmacokinetics of ziprasidone in pregnant women. Br J Clin Pharmacol 2019; 85: 914–923
  • Ivan ALM, Campanini MZ, Martinez RM, Ferreira VS, Steffen VS, Vicentini FT, Vilela FM, Martins FS, Zarpelon AC, Cunha TM. Pyrrolidine dithiocarbamate inhibits UVB-induced skin inflammation and oxidative stress in hairless mice and exhibits antioxidant activity in vitro. J Photochem Photobiol B Biol 2014; 138: 124–133
  • Borges LL, Martins FS, Conceição EC, Silveira D. Optimization of the Spray‐Drying Process for Developing Jabuticaba Waste Powder Employing Response Surface Methodology. J Food Process Eng 2017; 40: e12276
  • Martins FS, Borges LL, Ribeiro CSC, Reifschneider FJB, Conceição EC. Novel approaches to extraction methods in recovery of capsaicin from habanero pepper (CNPH 15.192). Pharmacogn Mag 2017; 13: S375
  • de Morais Rodrigues MC, Borges LL, Martins FS, Mourão RH V, da Conceição EC. Optimization of ultrasound-assisted extraction of phenolic compounds from Myrcia amazonica(Myrtaceae) leaves. Pharmacogn Mag 2016; 12: 9
  • Silva Filho OP, Oliveira LAR, Martins FS, Borges LL, De Freitas O, da Conceição EC. Obtainment of pellets using the standardized liquid extract of Brosimum gaudichaudii Trécul (Moraceae). Pharmacogn Mag 2015; 11: 170
  • Da Mota MF, Benfica PL, Batista AC, Martins FS, de Paula JR, Valadares MC. Investigation of Ehrlich ascites tumor cell death mechanisms induced by Synadenium umbellatum J Ethnopharmacol 2012; 139: 319–329
  • Silva EM da, Freitas SL, Martins FS, Couto RO, Pinto MV, Paula JR de, Conceição EC da, Bara MTF. Isolation and quantitative HPLC-PDA analysis of lupeol in phytopharmaceutical intermediate products from Vernonanthura ferruginea (Less.) H. Rob. 2012;

Conference Posters

  • Martins FS , Krache A, Helmer E, Namour F, Taneja A. Application of Physiologically Based Pharmacokinetic (PBPK) Modelling to Support First in Human dose selection. Population Approach Group Europe, 2019, Stockholm, Sweden
  • Biesdorf C, Martins FS, Diniz A. Physiologically-based pharmacokinetic modeling of ziprasidone in pregnant women. In: Journal Of Pharmacokinetics And Pharmacodynamics. Springer/Plenum Publishers 233 Spring St, New York, Ny 10013 Usa, 2018: S12–S13
  • Martins FS, Patel N, Jamei M ,Polak S. Mechanistic Physiologically-Based Pharmacokinetic Modelling for Prediction of Dermal Absorption in Psoriatic Patients. Perspective in Percutaneous Penetration, 2018, La Grande Motte, France.
  • Patel N, Martins FS, Jamei M, Ghosh P, Raney S.G,Zhang X, Tsakalozou E, Polak S. Integration of physicochemical product characteristics within a mechanistic dermal PBPK model to support virtual bioequivalence evaluation of topical drug products: A case study with acyclovir topical creams. American Association of Pharmaceutical Scientists, 2017 San Diego, USA.
  • Martins FS, Patel N, Clarke J, Polak   Multi-phase Multi-layer Mechanistic Physiologically-based Pharmacokinetic Dermal Absorption Model Verification Including Inter- and Intra-individual Variability Assessment Using Nicotine as a Model Drug. American Association of Pharmaceutical Scientists PharmaSci, 2018, Washington, USA.
  • Martins FS, Patel N, Jamei M, Polak S. Development and Validation of a Dermal PBPK Model for Prediction of the Hair Follicular Absorption of Caffeine: Application of the Simcyp MPML MechDermA model , 2017, 14TH ISSX, Cologne, Germany.
  • Martins FS, Patel N, Jamei M, Polak S.Development and validation of Dermal PBPK model towards virtual bioequivalence assessment: Prediction of dermal drug absorption of various Ibuprofen formulations using Simcyp MechDermA model, American Association of Pharmaceutical Scientists PharmaSci, 2018, Washington, USA.
  • Martins FS, Patel N, Salem F, Jamei M, Polak S. Multi-phase Multi-layer MechDermA model. Development, verification and application of a PBPK-PD model of dermal absorption for transdermal product assessment, 2016, Drug Metabolism and Disposition Group, Paris, France.

U.S. Food and Drug Administration grant

Development and validation of dermal PBPK modelling platform towards virtual bioequivalence assessment considering population variability. 2016-2019.

FDA Grant #: 1U01FD005225-01

Abdel Rodriguez

PhD Computer Sciences

Research Software Engineer
Software Development and Machine Learning

About Abdel Rodriguez

Dr. Abdel Rodríguez is a Computer Scientist with academic and industrial experience. He has balanced theory and practice experience in the field of Computer Science. He holds a MSc in Bioinformatics, a PhD in Machine Learning and more than ten years of experience as a software developer.

After finishing his bachelor’s degree in Computer Science, Abdel completed a MSc focused on Bioinformatics using supervised learning to detect virus drug resistance. He immediately started working as a Teaching Assistant at Central University of Las Villas, Cuba and started a PhD at Vrije Universiteit Brussels, Belgium. His PhD focused on Reinforcement Learning and Intelligent Control. He succeeded in controlling different industrial setups under collaboration with the Flanders’ Mechatronics Technology Centre on the international project LeCoPro (grant no. 80032). Back to Cuba he scaled up to Adjugated Professor and give lectures on general Artificial Intelligence and Advanced Programming topics. He enrolled as a software developer in several projects as a freelancer.

Before joining esqLABS, Abdel had put together experience on several theoretical aspects on Computer Science and practices on software development. He worked as a Software Engineer and Artificial Intelligence consultant at Addiva AB, Sweden and as a Software Engineer at Insiders Technologies GmbH, Germany.

 

Most relevant scientific publications:

Journal publications

  1. A. Rodríguez, P. Vrancx, R. Grau, A. Nowé: A reinforcement learning approach to coordinate exploration with limited communication in continuous action games. Knowledge Eng. Review 31(1): 77-95 (2016)
  2. P. Vrancx, P. Gurzi, A. Rodríguez, K. Steenhaut, A. Nowé: A Reinforcement Learning Approach for Interdomain Routing with Link Prices. TAAS 10(1): 5:1-5:26 (2015)
  3. A. Rodríguez, I. Bonet, R. Grau, M.M. García: Judges System for Classifiers Specialization. International Journal of Biological, Biomedical and Medical Sciences 3(2) (2008)

International congresses and book chapters

  1. E. Ramentol, J. Madera and A. Rodríguez. The diagnosis of undergraduate drop out in Informatics Engineering using a new model based on probabilistic rough set theory. Springer volume “Uncertainty Management with Fuzzy and Rough Sets: Recent Advances and Applications” (In press) 2018.
  2. E. Ramentol, J. Madera, A. Rodríguez and R. Bello. The diagnosis of undergraduate drop out in Informatics Engineering using a new model based on probabilistic rough set theory. International Symposium on Fuzzy and Rough Sets (ISFUROS 2017).
  3. I. Bonet, A. Rodríguez, I. Grau: Bidirectional Recurrent Neural Networks for Biological Sequences Prediction. MICAI (2) 2013: 139-149
  4. A. Rodríguez, P. Vrancx, A. Nowé, and E. Hostens. Model-free learning of wire winding control. In Proceedings of the Asian Control Conference (ASCC-2013), IEEE.
  5. A. Rodríguez, P. Vrancx, R. Grau-Ábalo, A. Nowé: An RL approach to common-interest continuous action games. AAMAS 2012: 1401-1402
  6. K. Van-Vaerenbergh, A. Rodríguez, M. Gagliolo, P. Vrancx, A. Nowé, J. Stoev, S. Goossens, G. Pinte, W. Symens: Improving wet clutch engagement with reinforcement learning. IJCNN 2012: 1-8
  7. A. Rodríguez, P. Vrancx, R. Grau, and A. Nowé. An RL Approach to Coordinate Exploration with Limited Communication in Continuous Action Games. In ALA-2012, 2012
  8. A. Rodríguez, R. Grau -Ábalo, A. Nowé: Continuous Action Reinforcement Learning Automata – Performance and Convergence. ICAART (2) 2011: 473-478
  9. I. Bonet, A. Rodríguez, R. Grau-Ábalo, M.M. García: Ensemble of Classifiers Based on Hard Instances. MCPR 2011: 67-74
  10. A. Rodríguez, M. Gagliolo, P. Vrancx, R. Grau, and A. Nowé. Improving the performance of Continuous Action Reinforcement Learning Automata. In 9th European Workshop on Reinforcement Learning, EWRL 2011, 2011
  11. M. Gagliolo, K. Van- Vaerenbergh, A. Rodríguez, A. Nowé, S. Goossens, G. Pinte, and W. Symens. Policy gradient methods for controlling systems with discrete sensor information. In 20th Annual Belgian-Dutch Conference on Machine Learning — BeNeLearn, pages 115–116, 2011
  12. M. Gagliolo, K. Van-Vaerenbergh, A. Rodríguez, A. Nowé, S. Goossens, G. Pinte, and W. Symens. Policy search reinforcement learning for automatic wet clutch engagement. In 15th International Conference on System Theory, Control and Computing — ICSTCC 2011, pages 250–255. IEEE, 2011
  13. S. Goossens, G. Pinte, W. Symens, M. Gagliolo, A. Rodríguez, and A. Nowé. Reinforcement learning for repetitive systems with discrete sensors. In 30th Benelux Meeting on Systems and Control — Book of Abstracts, page 149. Universiteit Gent, 2011
  14. I. Bonet, A. Rodríguez, R. Grau-Ábalo, M.M. García, Y. Saeys, A. Nowé: Comparing Distance Measures with Visual Methods. MICAI 2008: 90-99
About Frederico Martins

Dr. Frederico Martins is pharmacist with a PhD in Pharmaceutical Sciences from the University of São Paulo, Brazil. Prior to joining esqLABS, Dr. Martins worked as a pharmacometrics leader at Galapagos Pharmaceuticals in Paris, France, and Certara’s SimCYP division in Sheffield, England. At Galapagos he was responsible for implementation and application of PBPK models to guide drug development and translational strategies. He contributed to key decisions for oral drugs entering the clinical stage, formulation development, drug-drug interaction, late stage development, as well as translational evaluation of drugs for rare diseases. During his time working at Certara, Dr. Martins was deeply involved with the development and qualification of Simcyp dermal platform, and training courses. He has hands-on experience in IVIVE, IVIVC, first-in-human dose selection and application of PBPK in formulation development. His primary focus area at the moment is anti-inflammatory, pulmonary fibrosis, immunology and skin diseases.  Since 2019, Dr. Martins is a visiting professor at State University of Maringá, Brazil, collaborating with the post-graduate program in pharmaceutical science as graduate students’ co-supervisor.

List of Publications:

Peer Reviewed Journal Articles

  • Martins FS, Sy SKB, Fonseca MJV, de Freitas O. Pharmacokinetics, Pharmacodynamics and Dermal Distribution of 5-Methoxypsoralen Based on a Physiologically Based Pharmacokinetic Model to Support Phytotherapy Using Brosimum gaudichaudii. Planta Med 2020; 86: 276–283
  • Biesdorf C, Martins FS, Sy SKB, Diniz A. Physiologically-based pharmacokinetics of ziprasidone in pregnant women. Br J Clin Pharmacol 2019; 85: 914–923
  • Ivan ALM, Campanini MZ, Martinez RM, Ferreira VS, Steffen VS, Vicentini FT, Vilela FM, Martins FS, Zarpelon AC, Cunha TM. Pyrrolidine dithiocarbamate inhibits UVB-induced skin inflammation and oxidative stress in hairless mice and exhibits antioxidant activity in vitro. J Photochem Photobiol B Biol 2014; 138: 124–133
  • Borges LL, Martins FS, Conceição EC, Silveira D. Optimization of the Spray‐Drying Process for Developing Jabuticaba Waste Powder Employing Response Surface Methodology. J Food Process Eng 2017; 40: e12276
  • Martins FS, Borges LL, Ribeiro CSC, Reifschneider FJB, Conceição EC. Novel approaches to extraction methods in recovery of capsaicin from habanero pepper (CNPH 15.192). Pharmacogn Mag 2017; 13: S375
  • de Morais Rodrigues MC, Borges LL, Martins FS, Mourão RH V, da Conceição EC. Optimization of ultrasound-assisted extraction of phenolic compounds from Myrcia amazonica(Myrtaceae) leaves. Pharmacogn Mag 2016; 12: 9
  • Silva Filho OP, Oliveira LAR, Martins FS, Borges LL, De Freitas O, da Conceição EC. Obtainment of pellets using the standardized liquid extract of Brosimum gaudichaudii Trécul (Moraceae). Pharmacogn Mag 2015; 11: 170
  • Da Mota MF, Benfica PL, Batista AC, Martins FS, de Paula JR, Valadares MC. Investigation of Ehrlich ascites tumor cell death mechanisms induced by Synadenium umbellatum J Ethnopharmacol 2012; 139: 319–329
  • Silva EM da, Freitas SL, Martins FS, Couto RO, Pinto MV, Paula JR de, Conceição EC da, Bara MTF. Isolation and quantitative HPLC-PDA analysis of lupeol in phytopharmaceutical intermediate products from Vernonanthura ferruginea (Less.) H. Rob. 2012;

Conference Posters

  • Martins FS , Krache A, Helmer E, Namour F, Taneja A. Application of Physiologically Based Pharmacokinetic (PBPK) Modelling to Support First in Human dose selection. Population Approach Group Europe, 2019, Stockholm, Sweden
  • Biesdorf C, Martins FS, Diniz A. Physiologically-based pharmacokinetic modeling of ziprasidone in pregnant women. In: Journal Of Pharmacokinetics And Pharmacodynamics. Springer/Plenum Publishers 233 Spring St, New York, Ny 10013 Usa, 2018: S12–S13
  • Martins FS, Patel N, Jamei M ,Polak S. Mechanistic Physiologically-Based Pharmacokinetic Modelling for Prediction of Dermal Absorption in Psoriatic Patients. Perspective in Percutaneous Penetration, 2018, La Grande Motte, France.
  • Patel N, Martins FS, Jamei M, Ghosh P, Raney S.G,Zhang X, Tsakalozou E, Polak S. Integration of physicochemical product characteristics within a mechanistic dermal PBPK model to support virtual bioequivalence evaluation of topical drug products: A case study with acyclovir topical creams. American Association of Pharmaceutical Scientists, 2017 San Diego, USA.
  • Martins FS, Patel N, Clarke J, Polak   Multi-phase Multi-layer Mechanistic Physiologically-based Pharmacokinetic Dermal Absorption Model Verification Including Inter- and Intra-individual Variability Assessment Using Nicotine as a Model Drug. American Association of Pharmaceutical Scientists PharmaSci, 2018, Washington, USA.
  • Martins FS, Patel N, Jamei M, Polak S. Development and Validation of a Dermal PBPK Model for Prediction of the Hair Follicular Absorption of Caffeine: Application of the Simcyp MPML MechDermA model , 2017, 14TH ISSX, Cologne, Germany.
  • Martins FS, Patel N, Jamei M, Polak S.Development and validation of Dermal PBPK model towards virtual bioequivalence assessment: Prediction of dermal drug absorption of various Ibuprofen formulations using Simcyp MechDermA model, American Association of Pharmaceutical Scientists PharmaSci, 2018, Washington, USA.
  • Martins FS, Patel N, Salem F, Jamei M, Polak S. Multi-phase Multi-layer MechDermA model. Development, verification and application of a PBPK-PD model of dermal absorption for transdermal product assessment, 2016, Drug Metabolism and Disposition Group, Paris, France.

U.S. Food and Drug Administration grant

Development and validation of dermal PBPK modelling platform towards virtual bioequivalence assessment considering population variability. 2016-2019.

FDA Grant #: 1U01FD005225-01

About Abdel Rodriguez

Dr. Abdel Rodríguez is a Computer Scientist with academic and industrial experience. He has balanced theory and practice experience in the field of Computer Science. He holds a MSc in Bioinformatics, a PhD in Machine Learning and more than ten years of experience as a software developer.

After finishing his bachelor’s degree in Computer Science, Abdel completed a MSc focused on Bioinformatics using supervised learning to detect virus drug resistance. He immediately started working as a Teaching Assistant at Central University of Las Villas, Cuba and started a PhD at Vrije Universiteit Brussels, Belgium. His PhD focused on Reinforcement Learning and Intelligent Control. He succeeded in controlling different industrial setups under collaboration with the Flanders’ Mechatronics Technology Centre on the international project LeCoPro (grant no. 80032). Back to Cuba he scaled up to Adjugated Professor and give lectures on general Artificial Intelligence and Advanced Programming topics. He enrolled as a software developer in several projects as a freelancer.

Before joining esqLABS, Abdel had put together experience on several theoretical aspects on Computer Science and practices on software development. He worked as a Software Engineer and Artificial Intelligence consultant at Addiva AB, Sweden and as a Software Engineer at Insiders Technologies GmbH, Germany.

 

Most relevant scientific publications:

Journal publications

  1. A. Rodríguez, P. Vrancx, R. Grau, A. Nowé: A reinforcement learning approach to coordinate exploration with limited communication in continuous action games. Knowledge Eng. Review 31(1): 77-95 (2016)
  2. P. Vrancx, P. Gurzi, A. Rodríguez, K. Steenhaut, A. Nowé: A Reinforcement Learning Approach for Interdomain Routing with Link Prices. TAAS 10(1): 5:1-5:26 (2015)
  3. A. Rodríguez, I. Bonet, R. Grau, M.M. García: Judges System for Classifiers Specialization. International Journal of Biological, Biomedical and Medical Sciences 3(2) (2008)

International congresses and book chapters

  1. E. Ramentol, J. Madera and A. Rodríguez. The diagnosis of undergraduate drop out in Informatics Engineering using a new model based on probabilistic rough set theory. Springer volume “Uncertainty Management with Fuzzy and Rough Sets: Recent Advances and Applications” (In press) 2018.
  2. E. Ramentol, J. Madera, A. Rodríguez and R. Bello. The diagnosis of undergraduate drop out in Informatics Engineering using a new model based on probabilistic rough set theory. International Symposium on Fuzzy and Rough Sets (ISFUROS 2017).
  3. I. Bonet, A. Rodríguez, I. Grau: Bidirectional Recurrent Neural Networks for Biological Sequences Prediction. MICAI (2) 2013: 139-149
  4. A. Rodríguez, P. Vrancx, A. Nowé, and E. Hostens. Model-free learning of wire winding control. In Proceedings of the Asian Control Conference (ASCC-2013), IEEE.
  5. A. Rodríguez, P. Vrancx, R. Grau-Ábalo, A. Nowé: An RL approach to common-interest continuous action games. AAMAS 2012: 1401-1402
  6. K. Van-Vaerenbergh, A. Rodríguez, M. Gagliolo, P. Vrancx, A. Nowé, J. Stoev, S. Goossens, G. Pinte, W. Symens: Improving wet clutch engagement with reinforcement learning. IJCNN 2012: 1-8
  7. A. Rodríguez, P. Vrancx, R. Grau, and A. Nowé. An RL Approach to Coordinate Exploration with Limited Communication in Continuous Action Games. In ALA-2012, 2012
  8. A. Rodríguez, R. Grau -Ábalo, A. Nowé: Continuous Action Reinforcement Learning Automata – Performance and Convergence. ICAART (2) 2011: 473-478
  9. I. Bonet, A. Rodríguez, R. Grau-Ábalo, M.M. García: Ensemble of Classifiers Based on Hard Instances. MCPR 2011: 67-74
  10. A. Rodríguez, M. Gagliolo, P. Vrancx, R. Grau, and A. Nowé. Improving the performance of Continuous Action Reinforcement Learning Automata. In 9th European Workshop on Reinforcement Learning, EWRL 2011, 2011
  11. M. Gagliolo, K. Van- Vaerenbergh, A. Rodríguez, A. Nowé, S. Goossens, G. Pinte, and W. Symens. Policy gradient methods for controlling systems with discrete sensor information. In 20th Annual Belgian-Dutch Conference on Machine Learning — BeNeLearn, pages 115–116, 2011
  12. M. Gagliolo, K. Van-Vaerenbergh, A. Rodríguez, A. Nowé, S. Goossens, G. Pinte, and W. Symens. Policy search reinforcement learning for automatic wet clutch engagement. In 15th International Conference on System Theory, Control and Computing — ICSTCC 2011, pages 250–255. IEEE, 2011
  13. S. Goossens, G. Pinte, W. Symens, M. Gagliolo, A. Rodríguez, and A. Nowé. Reinforcement learning for repetitive systems with discrete sensors. In 30th Benelux Meeting on Systems and Control — Book of Abstracts, page 149. Universiteit Gent, 2011
  14. I. Bonet, A. Rodríguez, R. Grau-Ábalo, M.M. García, Y. Saeys, A. Nowé: Comparing Distance Measures with Visual Methods. MICAI 2008: 90-99

Jobs at esqLABS

We always look for exceptional talent and offer competitive conditions.

Interested applicants should send their CV to Stephan Schaller (stephan.schaller@esqLABS.com)

Get in touch now

Contact

esqLABS GmbH | Hambierich 34 | 26683 Saterland | Germany
Tel. +49 151 / 58559070 | info@esqLABS.com