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

Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty.

F Svensson, N Aniceto, U Norinder, I Cortes-Ciriano, O Spjuth, L Carlsson, A Bender

Journal of Chemical Information and Modeling

(2018)

1132

(doi: 10.1021/acs.jcim.8b00054)

A systematic and prospectively validated approach for identifying synergistic drug combinations against malaria.

Y KalantarMotamedi, RT Eastman, R Guha, A Bender

Malaria journal

(2018)

160

(doi: 10.1186/s12936-018-2294-5)

Special Issue: Cheminformatics in Drug Discovery.

A Bender, N Brown

ChemMedChem

(2018)

467

(doi: 10.1002/cmdc.201800123)

eMolTox: prediction of molecular toxicity with confidence.

C Ji, F Svensson, A Zoufir, A Bender

Bioinformatics

(2018)

2508

(doi: 10.1093/bioinformatics/bty135)

Binding mode ensembles determine ligand efficacy at a GPCR

M Bermudez, A Bender, G Wolber

NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY

(2018)

391

Common structural and pharmacophoric features of mPGES-1 and LTC4S

NS Devi, P Paragi-Vedanthi, A Bender, M Doble

Future medicinal chemistry

(2018)

259

(doi: 10.4155/fmc-2017-0123)

Developments in toxicogenomics: Understanding and predicting compound-induced toxicity from gene expression data

B Alexander-Dann, LL Pruteanu, E Oerton, N Sharma, I Berindan-Neagoe, D Módos, A Bender

Mol Omics

(2018)

218

(doi: 10.1039/c8mo00042e)

Computer-aided design of multi-target ligands at A

L Kalash, C Val, J Azuaje, MI Loza, F Svensson, A Zoufir, L Mervin, G Ladds, J Brea, R Glen, E Sotelo, A Bender

Journal of cheminformatics

(2017)

(doi: 10.1186/s13321-017-0249-4)

Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual Screening.

Y Kong, A Bender, A Yan

Journal of Chemical Information and Modeling

(2017)

(doi: 10.1021/acs.jcim.7b00300)

DeepSynergy: Predicting anti-cancer drug synergy with Deep Learning

K Preuer, RPI Lewis, S Hochreiter, A Bender, KC Bulusu, G Klambauer

Bioinformatics (Oxford, England)

(2017)

1538

(doi: 10.1093/bioinformatics/btx806)

Professor Andreas Bender

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