
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
Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling
BMC Bioinformatics
(2015)
16
a4
(doi: 10.1186/1471-2105-16-s3-a4)
Microwave-assisted synthesis, characterization and cytotoxic studies of novel estrogen receptor α ligands towards human breast cancer cells.
Bioorg Med Chem Lett
(2015)
25
1804
(doi: 10.1016/j.bmcl.2015.01.030)
Analyzing multitarget activity landscapes using protein-ligand interaction fingerprints: interaction cliffs.
J Chem Inf Model
(2015)
55
251
(doi: 10.1021/ci500721x)
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling
Journal of cheminformatics
(2015)
7
1
(doi: 10.1186/s13321-014-0049-z)
Using transcriptomics to guide lead optimization in drug discovery projects: Lessons learned from the QSTAR project
Drug Discov Today
(2015)
20
505
(doi: 10.1016/j.drudis.2014.12.014)
A One Pot Synthesis of Novel Bioactive Tri-Substitute-Condensed-Imidazopyridines that Targets Snake Venom Phospholipase A2
PloS one
(2015)
10
e0131896
(doi: 10.1371/journal.pone.0131896)
Synthesis, characterization and in vitro evaluation of novel enantiomerically-pure sulphonamide antimalarials
Org Biomol Chem
(2015)
13
10681
(doi: 10.1039/c5ob01479d)
Which kinase to hit in NCI-60? From a selectivity problem to a multitarget solution
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2015)
250
Computational methods for small molecule selection in stem cell differentiation
European Pharmaceutical Review
(2015)
20
25
Identification of the first surrogate agonists for the G protein-coupled receptor GPR132
Rsc Advances
(2015)
5
48551
(doi: 10.1039/c5ra04804d)
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