Additional file 2 of Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling

Name: Additional file 2 of Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling
Creator: Moreira-Filho, José T.; Mansouri, Kamel; Judson, Richard; Charest, Nathaniel; Kleinstreuer, Nicole C.; Tkachenko, Valery; Conway, Mike; Williams, Antony J.; Martin, Todd; Lowe, Charles N.
Published: 2024-08-14 00:00:00
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Figshare2024-08-14 更新2026-04-08 收录

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https://springernature.figshare.com/articles/dataset/Additional_file_2_of_Free_and_open-source_QSAR-ready_workflow_for_automated_standardization_of_chemical_structures_in_support_of_QSAR_modeling/26683363/1

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资源简介：

Additional file 2:S2. Rules applied in the standardization process.

提供机构：

Moreira-Filho, José T.; Mansouri, Kamel; Judson, Richard; Charest, Nathaniel; Kleinstreuer, Nicole C.; Tkachenko, Valery; Conway, Mike; Williams, Antony J.; Martin, Todd; Lowe, Charles N.

创建时间：

2024-08-14