相关数据集
CYP450 80/20 splits
Data from an NIH HTS of 17K compounds against five isozymes of cytochrome P450 screening for inhibition. The activity score is taken from the NIH assay and merged with all the 2-D descriptors from the
Figshare2016-01-19 更新50
ORY-2001 Pharmacological activity.
(A) Inhibition of FAD enzymes. (B) Inhibition of epigenetic enzymes. (C) Diversity screen. (XLSX)
NIAID Data Ecosystem40
QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3904
This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3904 (TID: 11837), and it has 10 rows and 4
OpenML2016-07-15 更新40
Biological activity of 5-(thiophen-2-yl)pyrimidine derivatives with diversification at the 4-position of the thiophene core.
aSee footnote of Table 2.
NIAID Data Ecosystem50
File S1 - In Vivo Angiogenesis Screening and Mechanism of Action of Novel Tanshinone Derivatives Produced by One-Pot Combinatorial Modification of Natural Tanshinone Mixture from Salvia Miltiorrhiza
Supporting Information. Section 1. A Stack Plot Showing the HPLC Chromatograms of Compounds 1-11. Section 2. Detailed Discussion of the Structure Elucidation of New Derivatives. Section 3. Original Ma
NIAID Data Ecosystem40
