Animal Microphysiological Systems: An Efficient Approach to Advancing the 3R’s Principle in Drug Discovery
收藏Mendeley Data2026-04-09 收录
官方服务：
资源简介：
Supporting materials.
辅助材料。
应用场景：
相关数据集
scikit-fingerprints/MoleculeACE_chembl287_ki
MoleculeACE ChEMBL287 Ki数据集，源自ChEMBL数据库，经过MoleculeACE处理用于评估活性悬崖。该数据集的目标是预测分子对Sigma非阿片类细胞内受体的抑制常数(Ki)。数据集包含1328个样本，适用于回归任务，推荐使用activity_cliff方式进行数据拆分，并以均方根误差(RMSE)作为评估指标。
Hugging Face2025-10-15 更新110
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
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13724a in complex with MAP kinase p38-alpha
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13724a in complex with MAP kinase p38-alpha Descriptor: 2-(4-aminophenyl)benzoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Au
Protein Data Bank Japan2026-02-18 更新40
BindingDB Entry 10506: P300/CBP HAT inhibitors
Small molecule binding data for protein Histone acetyltransferase p300, Uniprot Q09472
Mendeley Data2024-03-27 更新80
Additional file 9 of Predicted antiviral drugs Darunavir, Amprenavir, Rimantadine and Saquinavir can potentially bind to neutralize SARS-CoV-2 conserved proteins
Additional file 1: S9. List of drug binding hits for 5C8S-NSP14.
DataCite Commons2021-08-04 更新50
