1. Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs
- Author
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A. Patrícia Bento, Fiona M. I. Hunter, Anne Hersey, Andrew R. Leach, Anna Gaulton, and Nicolas Bosc
- Subjects
Models, Molecular ,Drug ,0303 health sciences ,Drug-Related Side Effects and Adverse Reactions ,Data curation ,Drug discovery ,Computer science ,media_common.quotation_subject ,General Medicine ,010501 environmental sciences ,Toxicology ,chEMBL ,01 natural sciences ,Preclinical data ,Article ,3. Good health ,World Wide Web ,03 medical and health sciences ,Pharmaceutical Preparations ,Humans ,Drug Approval ,Data Curation ,030304 developmental biology ,0105 earth and related environmental sciences ,media_common - Abstract
The safety of marketed drugs is an ongoing concern, with some of the more frequently prescribed medicines resulting in serious or life-threatening adverse effects in some patients. Safety-related information for approved drugs has been curated to include the assignment of toxicity class(es) based on their withdrawn status and/or black box warning information described on medicinal product labels. The ChEMBL resource contains a wide range of bioactivity data types, from early "Discovery" stage preclinical data for individual compounds through to postclinical data on marketed drugs; the inclusion of the curated drug safety data set within this framework can support a wide range of safety-related drug discovery questions. The curated drug safety data set will be made freely available through ChEMBL and updated in future database releases.
- Published
- 2021