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
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 Data 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)
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)
SPREAD—exploiting chemical features that cause differential activity behavior
– Statistical Analysis and Data Mining The ASA Data Science Journal
(2009)
2,
115
(doi: 10.1002/sam.10036)
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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