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
Diversity-oriented synthesis; a spectrum of approaches and results.
– Organic & Biomolecular Chemistry
(2008)
6,
1149
(doi: 10.1039/b719372f)
A scenario implementation in R for SubtypeDiscovery examplified on chemoinformatics data
– Communications in Computer and Information Science
(2008)
17 CCIS,
669
(doi: 10.1007/978-3-540-88479-8_48)
Integrating high-content screening and ligand-target prediction to identify mechanism of action
– Nature Chemical Biology
(2007)
4,
59
(doi: 10.1038/nchembio.2007.53)
Chemogenomic Data Analysis: Prediction of Small-Molecule Targets and the Advent of Biological Fingerprints
– Combinatorial Chemistry & High Throughput Screening
(2007)
10,
719
(doi: 10.2174/138620707782507313)
A large descriptor set and a probabilistic kernel-based classifier significantly improve druglikeness classification.
– Journal of chemical information and modeling
(2007)
47,
1776
(doi: 10.1021/ci700107y)
Side effect profile prediction: Computational tackling of big pharma's worst nightmare at an early stage
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234,
Prediction of small molecule targets based on protein domains: Extrapolation into unknown target space
– ABSTR PAP AM CHEM S
(2007)
234,
COMP 495-Tautomers, conformers, and computation of chemical similarity
– ABSTR PAP AM CHEM S
(2007)
234,
"Phylochemical Tree" for drug targets: Putting biological activities into context via ligand-based similarity measures
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234,
COMP 158-Automated combinatorial alignment for 3-D similarity searching
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234,
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