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
Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information
– Journal of Cheminformatics
(2011)
3,
p20
(doi: 10.1186/1758-2946-3-S1-P20)
Diversity-oriented synthesis of macrocyclic peptidomimetics
– Proc Natl Acad Sci U S A
(2011)
108,
6793
(doi: 10.1073/pnas.1015267108)
Increased Diversity of Libraries from Libraries: Chemoinformatic Analysis of Bis‐Diazacyclic Libraries
– Chemical biology & drug design
(2011)
77,
328
Computational Approaches in Cheminformatics and Bioinformatics
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets
– MedChemComm
(2011)
2,
16
(doi: 10.1039/c0md00165a)
Collaboration-based function prediction in protein-protein interaction networks
– Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
(2011)
7014 LNCS,
318
(doi: 10.1007/978-3-642-24800-9_30)
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
– Journal of Computer-Aided Molecular Design
(2011)
1
Combining Aggregation with Pareto Optimization: A Case Study in Evolutionary Molecular Design
– Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
(2010)
5467 LNCS,
453
(doi: 10.1007/978-3-642-01020-0_36)
Virtual activity profiling of bioactive molecules by 1D fingerprinting
– Mol Inform
(2010)
29,
773
(doi: 10.1002/minf.201000075)
How similar are those molecules after all? Use two descriptors and you will have three different answers.
– Expert opinion on drug discovery
(2010)
5,
1141
(doi: 10.1517/17460441.2010.517832)
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