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
QSAR-derived affinity fingerprints (part 2): Modeling performance for potency prediction
Journal of Cheminformatics
(2020)
12
41
(doi: 10.1186/s13321-020-00444-5)
QSAR-derived affinity fingerprints (part 1): Fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
Journal of Cheminformatics
(2020)
12
39
(doi: 10.1186/s13321-020-00443-6)
Neurochemical underpinning of hemodynamic response to neuropsychiatric drugs: A meta- and cluster analysis of preclinical studies
J Cereb Blood Flow Metab
(2020)
41
874
(doi: 10.1177/0271678x20916003)
EMDIP: An Entropy Measure to Discover Important Proteins in PPI networks.
Computers in biology and medicine
(2020)
120
103740
Establishing GPCR Targets of hMAO Active Anthraquinones from Cassia obtusifolia Linn Seeds Using In Silico and In Vitro Methods.
ACS omega
(2020)
5
7705
(doi: 10.1021/acsomega.0c00684)
Prediction and mechanistic analysis of Drug-Induced Liver Injury (DILI) based on chemical structure
(2020)
(doi: 10.21203/rs.3.rs-16599/v1)
Chapter 5 Concepts and Applications of Conformal Prediction in Computational Drug Discovery
(2020)
63
(doi: 10.1039/9781788016841-00063)
THE APPLICATION OF ITERATIVE SCREENING TO HIT IDENTIFICATION
(2020)
315
Structural Chemogenomics: Profiling Protein–Ligand Interactions in Polypharmacological Space
(2020)
53
Integrated network analysis using patient-specific single-nucleotide polymorphism profiles uncovers new pathways involved in ulcerative colitis pathogenesis
JOURNAL OF CROHNS & COLITIS
(2020)
14
S092
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