Additional file 2 of Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow

Name: Additional file 2 of Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow
Creator: Mansouri, Kamel; Ranganath, Dhruv; Moreira-Filho, José T.; Schmitt, Charles; Kleinstreuer, Nicole; Conway, Mike
Published: 2024-09-11 00:00:00
License: 暂无描述

Figshare2024-09-11 更新2026-04-08 收录

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https://springernature.figshare.com/articles/dataset/Additional_file_2_of_Democratizing_cheminformatics_interpretable_chemical_grouping_using_an_automated_KNIME_workflow/26996976/1

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资源简介：

Additional file 2. SDF file containing the chemical structures of the eye irritation and corrosion dataset.

提供机构：

Mansouri, Kamel; Ranganath, Dhruv; Moreira-Filho, José T.; Schmitt, Charles; Kleinstreuer, Nicole; Conway, Mike

创建时间：

2024-09-11