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
Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published?
Journal of chemical information and modeling
(2017)
57
2741
(doi: 10.1021/acs.jcim.7b00295)
Towards the mode of action of Strobilanthes crispus through integrated computational and experimental analyses
Journal of Plant Biochemistry and Biotechnology
(2017)
26
451
(doi: 10.1007/s13562-017-0407-9)
Orthologue chemical space and its influence on target prediction
Bioinformatics (Oxford, England)
(2017)
34
72
Fast, Quantitative and Variant Enabled Mapping of Peptides to Genomes.
Cell Syst
(2017)
5
152
(doi: 10.1016/j.cels.2017.07.007)
Fragment-Based Drug Discovery of Phosphodiesterase Inhibitors.
Journal of medicinal chemistry
(2017)
61
1415
(doi: 10.1021/acs.jmedchem.7b00404)
Prediction of synergistic drug combinations
Current Opinion in Systems Biology
(2017)
4
24
(doi: 10.1016/j.coisb.2017.05.005)
Towards understanding polyol additive effects on the pH shift-induced aggregation of a monoclonal antibody using high throughput screening and quantitative structure-activity modeling.
Int J Pharm
(2017)
530
165
Polypharmacological in Silico Bioactivity Profiling and Experimental Validation Uncovers Sedative-Hypnotic Effects of Approved and Experimental Drugs in Rat
ACS chemical biology
(2017)
12
1593
(doi: 10.1021/acschembio.7b00209)
Discovery and optimization of 3-(4-aryl/heteroarylsulfonyl)piperazin-1-yl)-6-(piperidin-1-yl)pyridazines as novel, CNS penetrant pan-muscarinic antagonists.
Bioorg Med Chem Lett
(2017)
27
3576
(doi: 10.1016/j.bmcl.2017.05.042)
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