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Yusuf Hamied Department of Chemistry

 

Professor Andreas Bender

Professor of Molecular Informatics

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

Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data.
S Seal, H Yang, M-A Trapotsi, S Singh, J Carreras-Puigvert, O Spjuth, A Bender
– Journal of Cheminformatics
(2023)
15,
56
(doi: 10.1186/s13321-023-00723-x)
Explaining Blood-Brain Barrier Permeability of Small Molecules by Integrated Analysis of Different Transport Mechanisms.
FMG Cornelissen, G Markert, G Deutsch, M Antonara, N Faaij, I Bartelink, D Noske, WP Vandertop, A Bender, BA Westerman
– J Med Chem
(2023)
(doi: 10.1021/acs.jmedchem.2c01824)
Prediction of Compound Plasma Concentration-Time Profiles in Mice Using Random Forest.
K Handa, P Wright, S Yoshimura, M Kageyama, T Iijima, A Bender
– Molecular Pharmaceutics
(2023)
(doi: 10.1021/acs.molpharmaceut.3c00071)
Benchmarking causal reasoning algorithms for gene expression-based compound mechanism of action analysis
L Hosseini-Gerami, IA Higgins, DA Collier, E Laing, D Evans, H Broughton, A Bender
– BMC bioinformatics
(2023)
24,
154
(doi: 10.1186/s12859-023-05277-1)
Deep generative models for 3D molecular structure
B Baillif, J Cole, P McCabe, A Bender
– Current Opinion in Structural Biology
(2023)
80,
102566
(doi: 10.1016/j.sbi.2023.102566)
Using Transcriptomics and Cell Morphology Data in Drug Discovery: The Long Road to Practice.
L-L Pruteanu, A Bender
– ACS Med Chem Lett
(2023)
14,
386
(doi: 10.1021/acsmedchemlett.3c00015)
Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b
L Hosseini-Gerami, E Ficulle, N Humphryes-Kirilov, DC Airey, J Scherschel, S Kananathan, BJ Eastwood, S Bose, DA Collier, E Laing, D Evans, H Broughton, A Bender
– Alzheimer's Research & Therapy
(2023)
15,
52
(doi: 10.1186/s13195-023-01182-0)
Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b
L Hosseini-Gerami, E Ficulle, N Humphryes-Kirilov, DC Airey, J Scherschel, S Kananathan, BJ Eastwood, S Bose, DA Collier, E Laing, D Evans, H Broughton, A Bender
– Alzheimers Res Ther
(2023)
15,
52
(doi: 10.1186/s13195-023-01182-0)
Integrating structure-based approaches in generative molecular
M Thomas, A Bender, C de Graaf
– Current opinion in structural biology
(2023)
79,
102559
(doi: 10.1016/j.sbi.2023.102559)
In silico prediction and biological assessment of novel angiogenesis modulators from traditional Chinese medicine
Y Zhu, H Yang, L Han, LH Mervin, L Hosseini-Gerami, P Li, P Wright, M-A Trapotsi, K Liu, T-P Fan, A Bender
– Front Pharmacol
(2023)
14,
1116081
(doi: 10.3389/fphar.2023.1116081)
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Telephone number

01223 762983

Email address

ab454@cam.ac.uk

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