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
Prediction of UGT-mediated Metabolism Using the Manually Curated MetaQSAR Database
ACS Med Chem Lett
(2019)
10
633
Correction to: Concordance analysis of microarray studies identifies representative gene expression changes in Parkinson's disease: A comparison of 33 human and animal studies (BMC Neurology (2017) 17 (58) DOI: 10.1186/s12883-017-0838-x)
BMC Neurol
(2019)
19
16
(doi: 10.1186/s12883-019-1240-7)
OP10 Systems genomics of ulcerative colitis: combining GWAS and signalling networks for patient stratification and individualised drug targeting in ulcerative colitis
Journal of Crohn's and Colitis
(2019)
13
S6
(doi: 10.1093/ecco-jcc/jjy222.009)
Signalling and transcriptional network propagation uncovers novel ulcerative colitis pathogenetic pathways from single-nucleotide polymorphisms
Journal of Crohn's and Colitis
(2019)
13
S091
(doi: 10.1093/ecco-jcc/jjy222.135)
Traditional Chinese Medicine Herbal Drugs: From Heritage to Future Developments
(2019)
32
59
(doi: 10.1007/978-3-030-11751-1_4)
Maximizing gain in high-throughput screening using conformal prediction.
Journal of cheminformatics
(2018)
10
7
(doi: 10.1186/s13321-018-0260-4)
Systemic neurotransmitter responses to clinically approved and experimental neuropsychiatric drugs.
Nature communications
(2018)
9
4699
(doi: 10.1038/s41467-018-07239-1)
Discovery of a non-toxic [1,2,4]triazolo[1,5-a]pyrimidin-7-one (WS-10) that modulates ABCB1-mediated multidrug resistance (MDR)
Bioorganic & Medicinal Chemistry
(2018)
26
5974
(doi: 10.1016/j.bmc.2018.10.027)
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks.
J Chem Inf Model
(2018)
59
1269
(doi: 10.1021/acs.jcim.8b00542)
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity.
Chem Res Toxicol
(2018)
31
1119
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