Computational Investigation of Drug Phototoxicity: Photosafety Assessment, Photo-Toxophore Identification and Machine Learning.
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DOI: 10.1021/acs.chemrestox.9b00338
Abstract: One of the most appreciated capabilities of computational toxicology is to support the design of pharmaceuticals with reduced toxicological hazard. To this end, we have strengthened our drug photosafety assessments by applying novel computer models… read more here.
Keywords: machine learning; drug; phototoxicity; photosafety ... See more keywords