AUC values for predicting drug-target interactions are shown to compare two cases of using experimentally validated interactions and by using all interactions including experiments, text mining, and o

Figshare2015-12-02 更新20

additional data

药物-靶点相互作用

化学信息学

df.parquet.gzip is processed raw data. This has some genes but is not fully overwrapped with training/test data drug2actions.csv is processd data that has information about drugs' effectiveness. drug2

Zenodo2023-11-09 更新30

Molecular docking analysis was performed to assess the affinity of onalespib for their targets LOX, elucidating binding poses, protein interactions, and associated binding energies.

分子对接

药物-靶点相互作用

To analyze the binding affinities and interaction modes between the drug candidates and their targets, we employed the Autodock Vina software [21]. Molecular structures of the candidate drugs and targ

NIAID Data Ecosystem20

The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ001023038

资源简介：

相关数据集