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
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs.
Journal of Chemical Information and Modeling
(2009)
49
477
(doi: 10.1021/ci800379q)
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
Journal of Chemical Information and Modeling
(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 opinion on drug discovery
(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 and 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
Journal of medicinal chemistry
(2008)
51
2481
(doi: 10.1021/jm701314u)
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