Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling

Kamel Mansouri, José T. Moreira-Filho, Charles N. Lowe, Nathaniel Charest, Todd Martin, Valery Tkachenko, Richard S. Judson, Mike Conway, Nicole C. Kleinstreuer, Antony J. Williams. Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling. J. Cheminformatics, 16(1):19, December 2024. [doi]

Abstract

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