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
Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling
Journal of Chemical Biology
(2014)
7
119
(doi: 10.1007/s12154-014-0112-2)
Synthesis and Characterization of Novel 2-Amino-Chromene-Nitriles that Target Bcl-2 in Acute Myeloid Leukemia Cell Lines
Plos One
(2014)
9
e107118
(doi: 10.1371/journal.pone.0107118)
Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis.
Mol Biosyst
(2014)
11
86
(doi: 10.1039/c4mb00328d)
Novel synthetic biscoumarins target tumor necrosis factor-α in hepatocellular carcinoma in vitro and in vivo
Journal of Biological Chemistry
(2014)
289
31879
(doi: 10.1074/jbc.m114.593855)
Toxicity prediction using heterogeneous chemical and biological data sources
Toxicology Letters
(2014)
229
S4
(doi: 10.1016/j.toxlet.2014.06.040)
Novel Benzoxazine-Based Aglycones Block Glucose Uptake In Vivo by Inhibiting Glycosidases
PloS one
(2014)
9
e102759
(doi: 10.1371/journal.pone.0102759)
Proteochemometric modeling in a Bayesian framework
J Cheminform
(2014)
6
35
(doi: 10.1186/1758-2946-6-35)
A community effort to assess and improve drug sensitivity prediction algorithms
Nature biotechnology
(2014)
32
1202
(doi: 10.1038/nbt.2877)
Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling.
Journal of Chemical Biology
(2014)
7
119
(doi: 10.1007/s12154-014-0112-2)
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