Reader for Molecular Informatics
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
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images.
– J Cheminform
(2019)
11,
41
(DOI: 10.1186/s13321-019-0364-5)
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen.
– Nature Communications
(2019)
10,
2674
(DOI: 10.1038/s41467-019-09799-2)
Synthesis of C-C, C-N Coupled Novel Substituted Dibutyl Benzothiazepinone Derivatives and Evaluation of Their Thrombin Inhibitory Activity
– Bioorg Chem
(2019)
87,
142
(DOI: 10.1016/j.bioorg.2019.03.004)
SYSTEMS GENOMICS OF ULCERATIVE COLITIS: COMBINING GWAS, SIGNALLING AND TRANSCRIPTIONAL NETWORKS TO UNCOVER NOVEL PATHOGENIC PATHWAYS
– GASTROENTEROLOGY
(2019)
156,
S605
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,
s006
(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)
Sulfated Ceria Catalyzed Synthesis of Imidazopyridines and Their Implementation as DNA Minor Groove Binders.
– Chemistry and Biodiversity
(2019)
16,
e1800435
(DOI: 10.1002/cbdv.201800435)
Concordance analysis of microarray studies identifies representative gene expression changes in Parkinson's disease: a comparison of 33 human and animal studies (vol 17, pg 58, 2017)
– BMC neurology
(2019)
19,
16
(DOI: 10.1186/s12883-019-1240-7)
Traditional Chinese Medicine Herbal Drugs: From Heritage to Future Developments
(2019)
32,
59
(DOI: 10.1007/978-3-030-11751-1_4)
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity
– Journal of Cheminformatics
(2019)
11,
36
(DOI: 10.1186/s13321-019-0356-5)
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