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
Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis
– Journal of Chemical Information and Modeling
(2009)
49,
308
(doi: 10.1021/ci800344p)
How similar are similarity searching methods? A principal component analysis of molecular descriptor space.
– J Chem Inf Model
(2009)
49,
108
(doi: 10.1021/ci800249s)
Computational methods to support high-content screening: from compound selection and data analysis to postulating target hypotheses.
– Expert Opin Drug Discov
(2008)
4,
5
(doi: 10.1517/17460440802586434)
Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics.
– J Chem Inf Model
(2008)
48,
2313
(doi: 10.1021/ci800079x)
COMP 86-"Virtual Fragment Linking": An approach to identify potent binders from low affinity fragment hits
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
236,
Which aspects of HTS are empirically correlated with downstream success?
– Current Opinion in Drug Discovery & Development
(2008)
11,
327
Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem.
– Journal of chemical information and modeling
(2008)
48,
691
(doi: 10.1021/ci700334f)
"Virtual fragment linking": An approach to identify potent binders from low affinity fragment hits
– J Med Chem
(2008)
51,
2481
(doi: 10.1021/jm701314u)
Anti‐MRSA Agent Discovery Using Diversity‐Oriented Synthesis
– Angewandte Chemie International Edition
(2008)
47,
2808
(doi: 10.1002/anie.200705415)
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