This is the updated version of the dataset from 10.5281/zenodo.6320761 Information The diverse publicly available compound/bioactivity databases constitute a key resource for data-driven applicati

NIAID Data Ecosystem80

Additional file 1 of QPHAR: quantitative pharmacophore activity relationship: method and validation

药物设计

药效团分析

Additional file 1. Metadata of all datasets used for CV studies with 20–80 split.

DataCite Commons2021-08-10 更新70

Energy values obtained in molecular docking calculations with survivin.

药物靶点对接

药物设计

Energy values obtained in molecular docking calculations with survivin.

NIAID Data Ecosystem80

Crystal Structures of Ask1-inhibitor Complexes

结构生物学

药物设计

Crystal Structures of Ask1-inhibitor Complexes Descriptor: 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine, ACETATE ION, MITOGEN-ACTIVATED PROTEIN KINASE KINAS

Protein Data Bank Japan2023-12-20 更新70

SiteMap generated druggability site score results.

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