Stereoisomers Are Not Machine Learning's Best Friends
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DOI: 10.1021/acs.jcim.4c00318
Abstract: This study addresses the challenge of accurately identifying stereoisomers in cheminformatics, which originates from our objective to apply machine learning to predict the association constant between cyclodextrin and a guest. Identifying stereoisomers is indeed crucial… read more here.
Keywords: learning best; best friends; machine; machine learning ... See more keywords