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
MAVEN: Compound mechanism of action analysis and visualisation using transcriptomics and compound structure data in R/Shiny
(2022)
(doi: 10.1101/2022.07.20.500792)
DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design.
– Journal of Chemical Information and Modeling
(2022)
62,
3486
(doi: 10.1021/acs.jcim.1c01334)
Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature.
– ACS chemical biology
(2022)
17,
1733
Deriving time-concordant event cascades from gene expression data: A case study for Drug-Induced Liver Injury (DILI).
– PLOS Computational Biology
(2022)
18,
e1010148
(doi: 10.1371/journal.pcbi.1010148)
Evaluation guidelines for machine learning tools in the chemical sciences.
– Nat Rev Chem
(2022)
6,
428
(doi: 10.1038/s41570-022-00391-9)
A systems genomics approach to uncover patient-specific pathogenic pathways and proteins in ulcerative colitis
– Nature communications
(2022)
13,
2299
(doi: 10.1038/s41467-022-29998-8)
Targeting Cell Death Mechanism Specifically in Triple Negative Breast Cancer Cell Lines.
– Int J Mol Sci
(2022)
23,
4784
(doi: 10.3390/ijms23094784)
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
(2022)
(doi: 10.26434/chemrxiv-2022-prz2r)
Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure
– Molecular Pharmaceutics
(2022)
19,
1488
Latent Variables Capture Pathway-Level Points of Departure in High-Throughput Toxicogenomic Data
– Chemical research in toxicology
(2022)
35,
670
- <
- 5 of 42