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
Exploring activity landscapes through molecular reference structures
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Discovery, design and synthesis of a novel series of non-peptidomimetic inhibitors of XIAP-caspase 9 interactions
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Discovery of potent and selective adenosine receptor ligands via multi-objective design
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Understanding and classifying metabolite space and Metabolite-Likeness
PLoS ONE
(2011)
6
e28966
(doi: 10.1371/journal.pone.0028966)
Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development
Plos One
(2011)
6
e27518
(doi: 10.1371/journal.pone.0027518)
From in silico target prediction to multi-target drug design: Current databases, methods and applications
Journal of Proteomics
(2011)
74
2554
(doi: 10.1016/j.jprot.2011.05.011)
Preface
Computational Approaches in Cheminformatics and Bioinformatics
(2011)
xvii
(doi: 10.1002/9781118131411)
Bridging Chemical and Biological Data: Implications for Pharmaceutical Drug Discovery
(2011)
25
(doi: 10.1002/9781118131411.ch2)
Computational Approaches in Cheminformatics and Bioinformatics
Computational Approaches in Cheminformatics and Bioinformatics
(2011)
(doi: 10.1002/9781118131411)
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