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Data-Driven Drug Discovery and Molecular Informatics

Publications

Understanding Conditional Associations between ToxCast in Vitro Readouts and the Hepatotoxicity of Compounds Using Rule-Based Methods
SY Mahmoud, F Svensson, A Zoufir, D Módos, AM Afzal, A Bender
– Chemical research in toxicology
(2019)
33,
137
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity
CHG Allen, LH Mervin, SY Mahmoud, A Bender
– Journal of Cheminformatics
(2019)
11,
36
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity.
F Svensson, A Zoufir, S Mahmoud, AM Afzal, I Smit, KA Giblin, PJ Clements, JT Mettetal, A Pointon, JS Harvey, N Greene, RV Williams, A Bender
– Chem Res Toxicol
(2018)
31,
1119

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01223 336432