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
Chemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicines.
J Chem Inf Model
(2013)
53
661
(doi: 10.1021/ci3005513)
Experimental validation of in silico target predictions on synergistic protein targets
MedChemComm
(2013)
4
278
(doi: 10.1039/c2md20286g)
Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels
International Journal of Bioinformatics Research and Applications
(2013)
9
407
(doi: 10.1504/ijbra.2013.054688)
Linking Ayurveda and Western medicine by integrative analysis.
Journal of Ayurveda and Integrative Medicine
(2013)
4
117
(doi: 10.4103/0975-9476.113882)
Using Multiobjective Optimization and Energy Minimization to Design an Isoform-Selective Ligand of the 14-3-3 Protein
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2012)
7610 LNCS
12
(doi: 10.1007/978-3-642-34032-1_3)
Utilizing traditional Chinese for the discovery of efficacious new drugs
Journal of Translational Medicine
(2012)
10
a34
(doi: 10.1186/1479-5876-10-s2-a34)
A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds.
Organic and Biomolecular Chemistry
(2012)
10
7545
(doi: 10.1039/c2ob26272j)
Predicting genes involved in human cancer using network contextual information.
J Integr Bioinform
(2012)
9
210
(doi: 10.2390/biecoll-jib-2012-210)
Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data.
J Med Chem
(2012)
55
7010
(doi: 10.1021/jm3003069)
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