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
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
Journal of Computer Aided Molecular Design
(2010)
24
675
(doi: 10.1007/s10822-010-9365-1)
Prospective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databases
ChemMedChem
(2010)
5
716
(doi: 10.1002/cmdc.201000024)
Mining protein dynamics from sets of crystal structures using "consensus structures".
Protein science : a publication of the Protein Society
(2010)
19
742
(doi: 10.1002/pro.350)
Metabolite identification pipeline based on MS fragmentation
ABSTR PAP AM CHEM S
(2010)
239
Preface
(2010)
VII
Predicting the functions of proteins in Protein-Protein Interaction networks from global information
PROCEEDINGS OF THE THIRD INTERNATIONAL WORKSHOP ON MACHINE LEARNING IN SYSTEMS BIOLOGY
(2010)
8
82
Scaffold Diversity Analysis of Compound Daft Sets Using an Entropy-Based Measure
QSAR & Combinatorial Science
(2009)
28
1551
(doi: 10.1002/qsar.200960069)
A Scenario Implementation in R for SubtypeDiscovery Examplified on Chemoinformatics Data
Communications in Computer and Information Science
(2009)
17
669
(doi: 10.1007/978-3-540-88479-8_48)
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