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

Bridging Chemical and Biological Data: Implications for Pharmaceutical Drug Discovery

JL Jenkins, J Scheiber, D Mikhailov, A Bender, A Schuffenhauer, B Cornett, V Chan, J Kondracki, B Rohde, JW Davies

(2011)

(doi: 10.1002/9781118131411.ch2)

Preface

R Guha, A Bender

Computational Approaches in Cheminformatics and Bioinformatics

(2011)

xvii

(doi: 10.1002/9781118131411)

Substructure‐Based Virtual Screening for Adenosine A2A Receptor Ligands

E van der Horst, R van der Pijl, T Mulder-Krieger, A Bender, AP Ijzerman

ChemMedChem

(2011)

2302

(doi: 10.1002/cmdc.201100369)

Libraries from Libraries: Comprehensive characterization of molecular diversity of bis-diazacyclic libraries

F Lopez-Vallejo, A Nefzi, A Bender, JR Owen, IT Nabney, RA Houghten, JL Medina-Franco

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

(2011)

242

Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space.

E van der Horst, JE Peironcely, GJP van Westen, OO van den Hoven, WRJD Galloway, DR Spring, JK Wegner, HWT van Vlijmen, AP Ijzerman, JP Overington, A Bender

Current topics in medicinal chemistry

(2011)

1964

(doi: 10.2174/156802611796391230)

Ask the experts: focus on computational chemistry.

J Bajorath, ML Barreca, A Bender, R Bryce, M Hutter, C Laggner, C Laughton, Y Martin, J Mitchell, A Padova, S Renner, PM Selzer, W Sherman, W Sippl, C Taft, T Tuccinardi, G Vistoli, P Willett

Future medicinal chemistry

(2011)

909

(doi: 10.4155/FMC.11.57)

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.

I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, S Brandmaier, A Abdelaziz, VV Prokopenko, VY Tanchuk, R Todeschini, A Varnek, G Marcou, P Ertl, V Potemkin, M Grishina, J Gasteiger, C Schwab, II Baskin, VA Palyulin, EV Radchenko, WJ Welsh, V Kholodovych, D Chekmarev, A Cherkasov, J Aires-de-Sousa, Q-Y Zhang, A Bender, F Nigsch, L Patiny, A Williams, V Tkachenko, IV Tetko

J Comput Aided Mol Des

(2011)

533

(doi: 10.1007/s10822-011-9440-2)

P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data set

Z Wang, Y Chen, H Liang, A Bender, RC Glen, A Yan

Journal of Chemical Information and Modeling

(2011)

1447

(doi: 10.1021/ci2001583)