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Data-Driven Drug Discovery and Molecular Informatics

Professor Andreas Bender

Currently also: Chief Informatics and Technology Officer (CITO) at Pangea Botanica, London/UK and Berlin/Germany

Previous positions:

Director Digital Chemistry at NUVISAN Berlin

Associate Director Computational ADME and Safety (Clinical Pharmacology & Safety Sciences/Data Science and Artificial Intelligence - CPSS/DSAI) at AstraZeneca Cambridge

Co-founder of Healx Ltd.

Co-founder of PharmEnable Ltd.

Personal Website

  • Committed to developing new life science data analysis methods (AI/ML/data science) and their application, primarily related to chemical biology, drug discovery and in silico toxicology
  • Expertise comprises data ranging from chemical structure and gene expression data to phenotypic readouts and preclinical information, applied to both efficacy- and safety/tox-related questions
  • Collaborating with academic research groups, as well as  pharmaceutical, chemical, and consumer goods companies (Eli Lilly, AstraZeneca, GSK, BASF, Johnson&Johnson/Janssen, Unilever, ...)
  • Co-founder/founding CTO and current SAB member of Healx Ltd. (data-driven drug repurposing for rare diseases, and beyond); co-founder of PharmEnable Ltd.; SAB member of Lhasa Ltd. (toxicology and metabolism prediction) and Cresset Ltd.
  • Coordinator of the Computational & In Silico Toxicology Specialty Section of the British Toxicology Society (BTS)
  • Steering Committee Member of the Cambridge Alliance on Medicines Safety (CAMS)
  • Currently leading a group of ca. 15 PhD students, postdocs, project students and visitors at the Centre for Molecular Informatics at the University of Cambridge, https://www-cmi.ch.cam.ac.uk/centre-molecular-informatics

Publications

Deriving waveform parameters from calcium transients in human iPSC-derived cardiomyocytes to predict cardiac activity with machine learning
H Yang, W Stebbeds, J Francis, A Pointon, O Obrezanova, KA Beattie, P Clements, JS Harvey, GF Smith, A Bender
– Stem Cell Reports
(2022)
17,
556
(doi: 10.1016/j.stemcr.2022.01.009)
Integrating Cell Morphology with Gene Expression and Chemical Structure to Aid Mitochondrial Toxicity Detection
S Seal, J Carreras-Puigvert, M-A Trapotsi, H Yang, O Spjuth, A Bender
– biorxiv
(2022)
2022.01.07.475326
(doi: 10.1101/2022.01.07.475326)
DDREL: From drug-drug relationships to drug repurposing
M Allahgholi, H Rahmani, D Javdani, Z Sadeghi-Adl, A Bender, D Módos, G Weiss
– Intelligent Data Analysis
(2022)
26,
221
(doi: 10.3233/IDA-215745)
Chapter 8: Using Artificial Intelligence for Drug Repurposing
A Bender
(2022)
2022-January,
147
(doi: 10.1039/9781839163401-00147)
Computational analyses of mechanism of action (MoA): data, methods and integration
M-A Trapotsi, L Hosseini-Gerami, A Bender
– RSC Chemical Biology
(2021)
3,
170
(doi: 10.1039/d1cb00069a)
Machine Learning Models for Human In Vivo Pharmacokinetic Parameters with In-House Validation.
F Miljković, A Martinsson, O Obrezanova, B Williamson, M Johnson, A Sykes, A Bender, N Greene
– Mol Pharm
(2021)
18,
4520
(doi: 10.1021/acs.molpharmaceut.1c00718)
Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges.
M Thomas, A Boardman, M Garcia-Ortegon, H Yang, C de Graaf, A Bender
– Methods in Molecular Biology
(2021)
2390,
1
(doi: 10.1007/978-1-0716-1787-8_1)
Deriving time-concordant event cascades from gene expression data: A case study for Drug-Induced Liver Injury (DILI)
A Liu, N Han, J Munoz-Muriedas, A Bender
(2021)
2021.09.23.461089
(doi: 10.1101/2021.09.23.461089)
In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities.
A Bassan, VM Alves, A Amberg, LT Anger, L Beilke, A Bender, A Bernal, MTD Cronin, J-H Hsieh, C Johnson, R Kemper, M Mumtaz, L Neilson, M Pavan, A Pointon, J Pletz, P Ruiz, DP Russo, Y Sabnis, R Sandhu, M Schaefer, L Stavitskaya, DT Szabo, J-P Valentin, D Woolley, C Zwickl, GJ Myatt
– Comput Toxicol
(2021)
20,
100188
(doi: 10.1016/j.comtox.2021.100188)
In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity
A Bassan, VM Alves, A Amberg, LT Anger, S Auerbach, L Beilke, A Bender, MTD Cronin, KP Cross, J-H Hsieh, N Greene, R Kemper, MT Kim, M Mumtaz, T Noeske, M Pavan, J Pletz, DP Russo, Y Sabnis, M Schaefer, DT Szabo, J-P Valentin, J Wichard, D Williams, D Woolley, C Zwickl, GJ Myatt
– Computational toxicology (Amsterdam, Netherlands)
(2021)
20,
100187
(doi: 10.1016/j.comtox.2021.100187)
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Research Interest Groups

Biological
Theoretical

Telephone number

01223 762983

Email address

Study at Cambridge

About the University

Research at Cambridge