官方服务：
资源简介：
Cmap analysis for genes correlated to ST-Et. (XLSX)
应用场景：
创建时间：
2020-10-23
相关数据集
Machine learning-based predictive models for identifying high active compounds against HIV-1 integrase
HIV-integrase is an important drug target because it catalyzes chromosomal integration of proviral DNA towards establishing latent infection. Computer-aided drug design has immensely contributed to id
DataCite Commons2022-05-18 更新120
Kamyar-zeinalipour/Protein-drug-pair-v2
该数据集包含了化合物的化学信息（如化学文摘服务号（ChEMBL ID）、标准SMILES表示）、生物目标信息（如目标ChEMBL ID、首选名称）、生物序列信息（如生物体、蛋白质序列）等。数据集分为训练集和测试集，其中训练集包含了304,138个示例，测试集包含了10,782个示例。数据集的总体大小为468,177,230字节。
Hugging Face2024-12-26 更新90
Validation screen drug combination data
Raw data supporting Jaaks and Coker et al., 2022 (DOI: 10.1038/s41586-022-04437-2). Drug combination data for all tissues, from validation screen. Users have a non-exclusive, non-transferable right
DataCite Commons2025-06-01 更新60
Schrodinger Phase databases for Enamine REAL lead-like library of 1.56 billion compounds (March 2021)
This dataset contains a total of 781 Phase databases in 20 subfolders, created from Enamine REAL lead-like library downloaded in March 2021 (1.56 billion compounds). The compound order in the library
DataCite Commons2023-02-08 更新120
Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in - vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor
A lysine-specific demethylase is an enzyme that selectively eliminates methyl groups from lysine residues. KDM5A, also known as JARID1A or RBP2, belongs to the KDM5 Jumonji histone demethylase subfami
DataCite Commons2025-11-12 更新70
