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
Plate-Based Diversity Selection Based on Empirical HTS Data to Enhance the Number of Hits and Their Chemical Diversity
– Journal of biomolecular screening
(2009)
14,
690
(doi: 10.1177/1087057109335678)
Frequent substructure mining of GPCR ligands
– BMC Chemistry
(2009)
3,
p69
(doi: 10.1186/1752-153X-3-S1-P69)
Fishing the target of antitubercular compounds: in silico target deconvolution model development and validation.
– Journal of Proteome Research
(2009)
8,
2788
(doi: 10.1021/pr8010843)
Mapping adverse drug reactions in chemical space.
– J Med Chem
(2009)
52,
3103
(doi: 10.1021/jm801546k)
Use of ligand based models for protein domains to predict novel molecular targets and applications to triage affinity chromatography data.
– J Proteome Res
(2009)
8,
2575
(doi: 10.1021/pr900107z)
The discovery of antibacterial agents using diversity-oriented synthesis
– Chem Commun (Camb)
(2009)
2446
(doi: 10.1039/b816852k)
Substructure Mining of GPCR Ligands Reveals Activity-Class Specific Functional Groups in an Unbiased Manner.
– J Chem Inf Model
(2009)
49,
348
(doi: 10.1021/ci8003896)
Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis.
– Journal of chemical information and modeling
(2009)
49,
308
(doi: 10.1021/ci800344p)
Substructure mining of GPCR ligands reveals activity-class specific functional groups in an unbiased manner.
– J Chem Inf Model
(2009)
49,
348
(doi: 10.1021/ci8003896)
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs.
– J Chem Inf Model
(2009)
49,
477
(doi: 10.1021/ci800379q)
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