Data-Driven Drug Discovery and Molecular Informatics

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

Linking Ayurveda and Western medicine by integrative analysis.
FM Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, RC Glen, A Bender
Journal of Ayurveda and integrative medicine
(2013)
4
(doi: 10.4103/0975-9476.113882)
Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels.
RJPV Berlo, W Winterbach, MJLD Groot, A Bender, PJT Verheijen, MJT Reinders, DD Ridder
Int J Bioinform Res Appl
(2013)
9
(doi: 10.1504/ijbra.2013.054688)
Experimental validation of in silico target predictions on synergistic protein targets
I Cortes-Ciriano, A Koutsoukas, O Abian, RC Glen, A Velazquez-Campoy, A Bender
Medchemcomm
(2013)
4
(doi: 10.1039/c2md20286g)
Using Multiobjective Optimization and Energy Minimization to Design an Isoform-Selective Ligand of the 14-3-3 Protein
H Sanchez-Faddeev, MTM Emmerich, FJ Verbeek, AH Henry, S Grimshaw, HP Spaink, HW van Vlijmen, A Bender
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2012)
7610
(doi: 10.1007/978-3-642-34032-1_3)
Cheminformatics
JK Wegner, A Sterling, R Guha, A Bender, J-L Faulon, J Hastings, N O'Boyle, J Overington, H Van Vlijmen, E Willighagen
Communications of the ACM
(2012)
55
(doi: 10.1145/2366316.2366334)
Utilizing traditional Chinese for the discovery of efficacious new drugs
A Bender
Journal of Translational Medicine
(2012)
10
(doi: 10.1186/1479-5876-10-s2-a34)
A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds
KMG O'Connell, HSG Beckmann, L Laraia, HT Horsley, A Bender, AR Venkitaraman, DR Spring
Org Biomol Chem
(2012)
10
(doi: 10.1039/c2ob26272j)
Predicting genes involved in human cancer using network contextual information.
H Rahmani, H Blockeel, A Bender
J Integr Bioinform
(2012)
9
(doi: 10.2390/biecoll-jib-2012-210)
Exploring activity landscapes through molecular reference structures
D Marcus, HY Mussa, A Bender, RC Glen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data
GJP van Westen, OO van den Hoven, R van der Pijl, T Mulder-Krieger, H de Vries, JK Wegner, AP Ijzerman, HWT van Vlijmen, A Bender
J Med Chem
(2012)
55
(doi: 10.1021/jm3003069)

Research Interest Groups

Telephone number

01223 762983

Email address

ab454@cam.ac.uk
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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Email: ab454@cam.ac.uk
T: 01223 762983

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