The datasets consist of analog series and key compounds extracted from ChEMBL, PubChem, and DrugBank. For each compound structural and activity information is provided
An up-to-date version of three MMP-based data sets derived from compounds included in the latest rel...
A total of 702 crystallographic ligands with activity against multiple targets from different protei...
<p>Three sets of approved drugs with associated activity data at varying confidence levels are provi...
<p>The datasets consist of analog series and key compounds extracted from ChEMBL, PubChem, and DrugB...
<p>The file contains 1400 analog series that consist of DCM compounds from PubChem and their bioacti...
Compound activity data sets for the 15 biological targets are deposited, along with structure-activi...
<p>Reported is the activity information for the 12,294 analog series-based (ASB) scaffolds extracted...
A set of 6941 analog series and associated data are provided. These series exclusively consist of co...
AnalogExplorer is a computational method for the organization and graphical analysis of analog serie...
<p>The analog database consisting of 1,297,204 virtual compounds is provided. Virtual compounds are ...
<p>A set of 52,815 unique bioactive compounds (human targets, high-confidence activity data) with no...
Analog series-based (ASB) scaffolds shared between ZINC and ChEMBL (version 22), ZINC and PubChem an...
Analog series were systematically extracted from more than 650 000 bioactive compounds originating f...
<p>The entire collection of 23,791 unique ASB scaffolds generated from compounds from Probes and Dru...
Ten activity classes are provided that were extracted from ChEMBL version 24 for machine learning st...
An up-to-date version of three MMP-based data sets derived from compounds included in the latest rel...
A total of 702 crystallographic ligands with activity against multiple targets from different protei...
<p>Three sets of approved drugs with associated activity data at varying confidence levels are provi...
<p>The datasets consist of analog series and key compounds extracted from ChEMBL, PubChem, and DrugB...
<p>The file contains 1400 analog series that consist of DCM compounds from PubChem and their bioacti...
Compound activity data sets for the 15 biological targets are deposited, along with structure-activi...
<p>Reported is the activity information for the 12,294 analog series-based (ASB) scaffolds extracted...
A set of 6941 analog series and associated data are provided. These series exclusively consist of co...
AnalogExplorer is a computational method for the organization and graphical analysis of analog serie...
<p>The analog database consisting of 1,297,204 virtual compounds is provided. Virtual compounds are ...
<p>A set of 52,815 unique bioactive compounds (human targets, high-confidence activity data) with no...
Analog series-based (ASB) scaffolds shared between ZINC and ChEMBL (version 22), ZINC and PubChem an...
Analog series were systematically extracted from more than 650 000 bioactive compounds originating f...
<p>The entire collection of 23,791 unique ASB scaffolds generated from compounds from Probes and Dru...
Ten activity classes are provided that were extracted from ChEMBL version 24 for machine learning st...
An up-to-date version of three MMP-based data sets derived from compounds included in the latest rel...
A total of 702 crystallographic ligands with activity against multiple targets from different protei...
<p>Three sets of approved drugs with associated activity data at varying confidence levels are provi...
DOI
Add to ORKG