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
Microwave-assisted synthesis, characterization and cytotoxic studies of novel estrogen receptor α ligands towards human breast cancer cells.
Bioorganic and Medicinal Chemistry Letters
(2015)
25
1804
(doi: 10.1016/j.bmcl.2015.01.030)
Analysing Multitarget Activity Landscapes using Protein-Ligand Interaction Fingerprints: Interaction cliffs
Journal of chemical information and modeling
(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)
Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
RSC Medicinal Chemistry
(2015)
6
24
(doi: 10.1039/c4md00216d)
Computational methods for small molecule selection in stem cell differentiation
European Pharmaceutical Review
(2015)
20
25
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
Comparing global and local likelihood score thresholds in multiclass laplacian-modified Naive Bayes protein target prediction.
Combinatorial chemistry & high throughput screening
(2015)
18
323
Identification of the first surrogate agonists for the G protein-coupled receptor GPR132
RSC Advances
(2015)
5
48551
(doi: 10.1039/c5ra04804d)
Synthesis, characterization and in vitro evaluation of novel enantiomerically-pure sulphonamide antimalarials.
Organic and Biomolecular Chemistry
(2015)
13
10681
(doi: 10.1039/c5ob01479d)
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