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

A transcriptomics-based new approach methodology (NAM) identifies points of departure (PoDs) of adaptive stress in HepG2 cells

D Basili, B Chambers, M Liddell, J Houghton, A White, I Shah, A Middleton, A Bender

TOXICOLOGY LETTERS

(2021)

350

S216

Artificial Intelligence in Drug Discovery and Computational Safety: What is Realistic, What are Illusions?

A Bender

TOXICOLOGY LETTERS

(2021)

350

S49

Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty.

LH Mervin, M-A Trapotsi, AM Afzal, IP Barrett, A Bender, O Engkvist

J Cheminform

(2021)

(doi: 10.1186/s13321-021-00539-7)

Computational drug repositioning for ischemic stroke: neuroprotective drug discovery

Y Li, J Yang, Y Zhang, Q Meng, A Bender, X Chen

Future Med Chem

(2021)

1271

(doi: 10.4155/fmc-2021-0022)

Transcriptional drug repositioning and cheminformatics approach for differentiation therapy of leukaemia cells.

Y KalantarMotamedi, F Ejeian, F Sabouhi, L Bahmani, AS Nejati, AM Bhagwat, AM Ahadi, AP Tafreshi, MH Nasr-Esfahani, A Bender

Sci Rep

(2021)

12537

(doi: 10.1038/s41598-021-91629-x)

DOP07 Ulcerative Colitis associated single nucleotide polymorphisms found in transcription factor binding sites effect key pathogenesis pathways and facilitate patient stratification

D Modos, J Brooks-Warburton, P Sudhakar, M Madgwick, D Fazekas, M Szalay-Beko, JP Thomas, B Verstockt, A Watson, M Tremelling, M Parkes, S Vermeire, A Bender, SR Carding, T Korcsmaros

Journal of Crohn's and Colitis

(2021)

s045

(doi: 10.1093/ecco-jcc/jjab073.046)

Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study

M Thomas, RT Smith, NM O'Boyle, C de Graaf, A Bender

Journal of cheminformatics

(2021)

(doi: 10.1186/s13321-021-00516-0)

Comparison of Chemical Structure and Cell Morphology Information for Multitask Bioactivity Predictions

M-A Trapotsi, LH Mervin, AM Afzal, N Sturm, O Engkvist, IP Barrett, A Bender

Journal of Chemical Information and Modeling