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
Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge
– Molecular informatics
(2015)
34,
626
(doi: 10.1002/minf.201400166)
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
– 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 discovery today
(2015)
20,
505
(doi: 10.1016/j.drudis.2014.12.014)
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 Naïve bayes protein target prediction
– Comb Chem High Throughput Screen
(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)
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