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
A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: Reliability-density neighbourhood
Journal of Cheminformatics
(2016)
8
69
(doi: 10.1186/s13321-016-0182-y)
Current Trends in Drug Sensitivity Prediction
Curr Pharm Des
(2016)
22
6918
Diversity selection, screening and quantitative structure-activity relationships of osmolyte-like additive effects on the thermal stability of a monoclonal antibody
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
(2016)
97
151
(doi: 10.1016/j.ejps.2016.11.016)
Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening
Briefings in Bioinformatics
(2016)
19
bbw105
(doi: 10.1093/bib/bbw105)
Predicting Genes Involved in Human Cancer Using Network Contextual Information.
Journal of integrative bioinformatics
(2016)
9
44
(doi: 10.1515/jib-2012-210)
Simultaneous Prediction of four ATP-binding Cassette Transporters’ Substrates Using Multi-label QSAR
Mol Inform
(2016)
35
514
(doi: 10.1002/minf.201600036)
Analysis of Differential Efficacy and Affinity of GABAA (α1/α2) Selective Modulators.
Molecular pharmaceutics
(2016)
13
4001
Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening.
Journal of chemical information and modeling
(2016)
56
1622
(doi: 10.1021/acs.jcim.6b00244)
Understanding cytotoxicity and cytostaticity in a high-throughput screening collection
ACS Chemical Biology
(2016)
11
3007
(doi: 10.1021/acschembio.6b00538)
Understanding the mode-of-action of Cassia auriculata via in silico and in vivo studies towards validating it as a long term therapy for type II diabetes
J Ethnopharmacol
(2016)
197
61
(doi: 10.1016/j.jep.2016.07.058)
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