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Yusuf Hamied Department of Chemistry

 

Professor Andreas Bender

Professor of Molecular Informatics

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

DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design
M García-Ortegón, GNC Simm, AJ Tripp, JM Hernández-Lobato, A Bender, S Bacallado
– Journal of Chemical Information and Modeling
(2022)
62,
3486
(DOI: 10.1021/acs.jcim.1c01334)
Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature.
M-A Trapotsi, E Mouchet, G Williams, T Monteverde, K Juhani, R Turkki, F Miljković, A Martinsson, L Mervin, KR Pryde, E Müllers, I Barrett, O Engkvist, A Bender, K Moreau
– ACS Chem Biol
(2022)
17,
1733
(DOI: 10.1021/acschembio.2c00076)
Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure
O Obrezanova, A Martinsson, T Whitehead, S Mahmoud, A Bender, F Miljković, P Grabowski, B Irwin, I Oprisiu, G Conduit, M Segall, GF Smith, B Williamson, S Winiwarter, N Greene
– Molecular Pharmaceutics
(2022)
19,
1488
(DOI: 10.1021/acs.molpharmaceut.2c00027)
Latent Variables Capture Pathway-Level Points of Departure in High-Throughput Toxicogenomic Data
D Basili, J Reynolds, J Houghton, S Malcomber, B Chambers, M Liddell, I Muller, A White, I Shah, LJ Everett, A Middleton, A Bender
– Chem Res Toxicol
(2022)
35,
670
(DOI: 10.1021/acs.chemrestox.1c00444)
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)
(DOI: 10.1101/2022.01.07.475326)
Computational analyses of mechanism of action (MoA): data, methods and integration
M-A Trapotsi, L Hosseini-Gerami, A Bender
– RSC Chemical Biology
(2022)
3,
170
(DOI: 10.1039/d1cb00069a)
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)
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
– Molecular pharmaceutics
(2021)
18,
4520
(DOI: 10.1021/acs.molpharmaceut.1c00718)
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Telephone number

01223 762983

Email address

ab454@cam.ac.uk

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