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The comprehensive similarity values of active ingredients and targets.

NIAID Data Ecosystem2026-05-01 收录

数据链接：

https://figshare.com/articles/dataset/The_comprehensive_similarity_values_of_active_ingredients_and_targets_/24661741 数据链接链接失效反馈

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资源简介：

The comprehensive similarity values of active ingredients and targets.

应用场景：

创建时间：

2023-11-29

药物再利用

药物相似性

Traditional approaches to drug development are costly and involve high risks. The drug repurposing approach can be a valuable alternative to traditional approaches and has therefore received considera

DataCite Commons2025-05-26 更新110

Pairwise molecular similarities between DrugBank compounds

药物相似性

化学信息学

Molecular similarities were calculated between pairs of DrugBank compounds using structures from the DrugBank SDF download. First, a Morgan (circular) fingerprint with radius 2 was calculated for each

DataCite Commons2020-09-04 更新60

Evaluation of the two most effective drugs using the parameters supplied by the computational prediction approach for drug likeness.

药物相似性

药效评估

Evaluation of the two most effective drugs using the parameters supplied by the computational prediction approach for drug likeness.

Figshare2025-09-08 更新40

Pathway similarity scores

药物相似性

代谢物-蛋白相互作用

Pair-wise pathway similarity scores targeted by of all small-molecule drugs in Drugbank database, empowered by PPI information

DataCite Commons2020-08-25 更新110

MOESM4 of Analysis of drugâendogenous human metabolite similarities in terms of their maximum common substructures