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FP-ADMET: a compendium of fingerprint-based ADMET prediction models
2021
Journal of Cheminformatics
Motivation The absorption, distribution, metabolism, excretion, and toxicity (ADMET) of drugs plays a key role in determining which among the potential candidates are to be prioritized. In silico approaches based on machine learning methods are becoming increasing popular, but are nonetheless limited by the availability of data. With a view to making both data and models available to the scientific community, we have developed FPADMET which is a repository of molecular fingerprint-based
doi:10.1186/s13321-021-00557-5
pmid:34583740
fatcat:wxsfknynxjh25c7hq7vwumu6ru