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.
- 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
Computational prediction of metabolism: Sites, products, SAR, P450 enzyme dynamics, and mechanisms
Journal of Chemical Information and Modeling
(2012)
52
617
(doi: 10.1021/ci200542m)
The challenges involved in modeling toxicity data in silico: A review
Current Pharmaceutical Design
(2012)
18
1266
(doi: 10.2174/138161212799436359)
A-Ring Dihalogenation Increases the Cellular Activity of Combretastatin-Templated Tetrazoles
ACS medicinal chemistry letters
(2012)
3
177
(doi: 10.1021/ml200149g)
Discovery, design and synthesis of a novel series of non-peptidomimetic inhibitors of XIAP-caspase 9 interactions
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Exploring activity landscapes through molecular reference structures
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Discovery of potent and selective adenosine receptor ligands via multi-objective design
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Understanding and classifying metabolite space and Metabolite-Likeness
PloS one
(2011)
6
e28966
(doi: 10.1371/journal.pone.0028966)
Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development
PloS one
(2011)
6
e27518
(doi: 10.1371/journal.pone.0027518)
From in silico target prediction to multi-target drug design: Current databases, methods and applications
Journal of Proteomics
(2011)
74
2554
(doi: 10.1016/j.jprot.2011.05.011)
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