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Published in 2022 at "Frontiers in Pharmacology"
DOI: 10.3389/fphar.2022.833099
Abstract: The BioChemical Library (BCL) cheminformatics toolkit is an application-based academic open-source software package designed to integrate traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. In this pedagogical article we provide…
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Keywords:
biochemical library;
library bcl;
machine;
machine learning ... See more keywords