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
Maximizing gain in high-throughput screening using conformal prediction
Journal of cheminformatics
(2018)
10
7
(doi: 10.1186/s13321-018-0260-4)
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)
Systemic neurotransmitter responses to clinically approved and experimental neuropsychiatric drugs.
Nature communications
(2018)
9
4699
(doi: 10.1038/s41467-018-07239-1)
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks
J Chem Inf Model
(2018)
59
1269
(doi: 10.1021/acs.jcim.8b00542)
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity
Chemical Research in Toxicology
(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)
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening.
J Chem Inf Model
(2018)
58
2000
(doi: 10.1021/acs.jcim.8b00376)
- ‹ previous
- Page 13
