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
Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts.
Molecular informatics
(2013)
32
1009
(doi: 10.1002/minf.201300102)
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): Comparative study of 13 amino acid descriptor sets
J Cheminform
(2013)
5
42
(doi: 10.1186/1758-2946-5-42)
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets
J Cheminform
(2013)
5
41
(doi: 10.1186/1758-2946-5-42)
Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space.
Chemical biology & drug design
(2013)
82
252
(doi: 10.1111/cbdd.12155)
In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt Window
Journal of Chemical Information and Modeling
(2013)
53
1957
(doi: 10.1021/ci300435j)
Computer‐aided (in silico) approaches in the mode‐of‐action analysis and safety assessment of Ostarine and 4‐methylamphetamine
Human Psychopharmacology Clinical and Experimental
(2013)
28
365
(doi: 10.1002/hup.2322)
In silico target prediction: identification of on- and off-targets for crop protection agents
Journal of Cheminformatics
(2013)
5
p18
(doi: 10.1186/1758-2946-5-s1-p18)
Relating GPCRs pharmacological space based on ligands chemical similarities
Journal of cheminformatics
(2013)
5
P26
(doi: 10.1186/1758-2946-5-s1-p26)
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model
Journal of Cheminformatics
(2013)
5
p34
(doi: 10.1186/1758-2946-5-s1-p34)
Annotating targets with pathways: extending approaches to mode of action analysis
Journal of Cheminformatics
(2013)
5
p15
(doi: 10.1186/1758-2946-5-s1-p15)
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