数据链接：
官方服务：
资源简介：
COMFA and COMSIA analysis results*.
应用场景：
创建时间：
2017-07-27
相关数据集
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7c
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7c Descriptor: Cereblon isoform 4, PHOSPHATE ION, ZINC ION, ... Authors: Heim, C, Hartmann, M.D. Deposit date: 2019-03
Protein Data Bank Japan2024-01-24 更新90
DataSheet2_Assessing the effect of forcefield parameter sets on the accuracy of relative binding free energy calculations.xlsx
Software for accurate prediction of protein-ligand binding affinity can be a key enabling tool for small molecule drug discovery. Free energy perturbation (FEP) is a computational technique that can b
NIAID Data Ecosystem60
Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents
Six complexes of formula [Ir(η5:κ1-C5Me4CH2py)(C,N)]PF6, where C5Me4CH2py is 2-((2,3,4,5-tetramethylcyclopentadienyl)methyl)pyridine, and C,N is 2-phenylpyridine (1), 7,8-benzoquinoline (2), 1-ph
NIAID Data Ecosystem40
Materials Data on ScNiSn by Materials Project
ScNiSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to five Ni and six equivalent Sn atoms. There are four shorter (2.8
DataCite Commons2021-02-04 更新80
QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2951
This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL2951 (TID: 12186), and it has 22 rows and 1
OpenML2016-07-14 更新50
