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
Traditional Chinese Medicine Herbal Drugs: From Heritage to Future Developments
(2019)
32,
59
(doi: 10.1007/978-3-030-11751-1_4)
SYSTEMS GENOMICS OF ULCERATIVE COLITIS: COMBINING GWAS, SIGNALLING AND TRANSCRIPTIONAL NETWORKS TO UNCOVER NOVEL PATHOGENIC PATHWAYS
– GASTROENTEROLOGY
(2019)
156,
S605
Discovery of a Non-toxic [1,2,4] Triazolo[1,5-A] Pyrimidin-7-One (WS-10) that Modulates ABCB1-Mediated Multidrug Resistance (MDR) (vol 26, pg 5006, 2018)
– Bioorganic and Medicinal Chemistry
(2018)
26,
5973
(doi: 10.1016/j.bmc.2018.10.026)
Maximizing gain in high-throughput screening using conformal prediction.
– J Cheminform
(2018)
10,
7
(doi: 10.1186/s13321-018-0260-4)
Systemic neurotransmitter responses to clinically approved and experimental neuropsychiatric drugs
– Nature communications
(2018)
9,
4699
(doi: 10.1038/s41467-018-07239-1)
Discovery of a non-toxic [1,2,4]triazolo[1,5-a]pyrimidin-7-one (WS-10) that modulates ABCB1-mediated multidrug resistance (MDR).
– Bioorganic and Medicinal Chemistry
(2018)
26,
5974
(doi: 10.1016/j.bmc.2018.10.027)
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks
– Journal of chemical information and modeling
(2018)
59,
1269
(doi: 10.1021/acs.jcim.8b00542)
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity
– Chem Res Toxicol
(2018)
31,
1119
Discovery of a small-molecule inhibitor of specific serine residue BAD phosphorylation.
– Proceedings of the National Academy of Sciences of the United States of America
(2018)
115,
e10505
(doi: 10.1073/pnas.1804897115)
Using machine learning to predict synergistic antimalarial compound combinations with novel structures
– Frontiers in pharmacology
(2018)
9,
1096
(doi: 10.3389/fphar.2018.01096)
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