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
Preface
(2010)
VII
Scaffold diversity analysis of compound data sets using an entropy-based measure
Molecular Informatics
(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)
Alpha shapes applied to molecular shape characterization exhibit novel properties compared to established shape descriptors.
Journal of Chemical Information and Modeling
(2009)
49
2231
(doi: 10.1021/ci900190z)
Chemogenomics: Looking at biology through the lens of chemistry
Statistical Analysis and Data Mining The ASA Data Science Journal
(2009)
2
149
(doi: 10.1002/sam.10046)
A quantitative bgl operon model for E. coli requires bglF conformational change for sugar transport
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2009)
5121 LNBI
1
(doi: 10.1007/978-3-540-88765-2-1)
Multi-parameter phenotypic profiling: using cellular effects to characterize small-molecule compounds.
Nature reviews. Drug discovery
(2009)
8
567
(doi: 10.1038/nrd2876)
Enhancing search space diversity in multi-objective evolutionary drug molecule design using niching
Proceedings of the 11th Annual Genetic and Evolutionary Computation Conference Gecco 2009
(2009)
217
(doi: 10.1145/1569901.1569932)
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