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
Systematic selection of small molecules to promote differentiation of embryonic stem cells and experimental validation for generating cardiomyocytes.
Cell death discovery
(2016)
2
16007
(doi: 10.1038/cddiscovery.2016.7)
Modeling polypharmacological profiles by affinity fingerprinting
Current pharmaceutical design
(2016)
22
6885
Current Trends in Drug Sensitivity Prediction
CURRENT PHARMACEUTICAL DESIGN
(2016)
22
6918
Nano-cuprous oxide catalyzed one-pot synthesis of a carbazole-based STAT3 inhibitor: a facile approach via intramolecular C–N bond formation reactions
RSC Advances
(2016)
6
36775
(doi: 10.1039/c6ra01906d)
Understanding cytotoxicity in high-throughput screening collections using an in silico polypharmacological prediction protocol
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
252
Nano-MoO3-mediated synthesis of bioactive thiazolidin-4-ones acting as anti-bacterial agents and their mode-of-action analysis using in silico target prediction, docking and similarity searching
New Journal of Chemistry
(2016)
40
2189
(doi: 10.1039/c5nj02729b)
Improved Chemical Structure-Activity Modeling Through Data Augmentation.
Journal of Chemical Information and Modeling
(2015)
55
2682
(doi: 10.1021/acs.jcim.5b00570)
ARWAR: A network approach for predicting Adverse Drug Reactions
Computers in Biology and Medicine
(2015)
68
101
How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements.
Chemmedchem
(2015)
11
57
(doi: 10.1002/cmdc.201500424)
Target prediction utilising negative bioactivity data covering large chemical space.
Journal of Cheminformatics
(2015)
7
51
(doi: 10.1186/s13321-015-0098-y)
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