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
Toxicity prediction using heterogeneous chemical and biological data sources
Toxicology Letters
(2014)
229
s4
(doi: 10.1016/j.toxlet.2014.06.040)
Novel benzoxazine-based aglycones block glucose uptake in vivo by inhibiting glycosidases.
PLoS ONE
(2014)
9
e102759
(doi: 10.1371/journal.pone.0102759)
Proteochemometric modeling in a Bayesian framework.
Journal of Cheminformatics
(2014)
6
35
(doi: 10.1186/1758-2946-6-35)
A community effort to assess and improve drug sensitivity prediction algorithms.
Nature Biotechnology
(2014)
32
1202
(doi: 10.1038/nbt.2877)
Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling.
J Chem Biol
(2014)
7
119
(doi: 10.1007/s12154-014-0112-2)
Biofragments: An Approach towards Predicting Protein Function Using Biologically Related Fragments and its Application to Mycobacterium tuberculosis CYP126
ChemBioChem
(2014)
15
549
(doi: 10.1002/cbic.201300697)
Synthesis, biological evaluation and in silico and in vitro mode-of-action analysis of novel dihydropyrimidones targeting PPAR-γ
RSC Adv.
(2014)
4
45143
(doi: 10.1039/c4ra08713e)
Synthesis and biological evaluation of tetrahydropyridinepyrazoles (‘PFPs’) as inhibitors of STAT3 phosphorylation
Medchemcomm
(2014)
5
32
(doi: 10.1039/c3md00119a)
Comparative mode-of-action analysis following manual and automated phenotype detection in Xenopus laevis
Medchemcomm
(2014)
5
386
(doi: 10.1039/c3md00313b)
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