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ChEMBL

Known as: ChEMBLdb 
ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug-like properties.It is maintained by the European… 
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17 relations
BindingDBBiological databaseChEBIChemSpider

Broader (2)

BioinformaticsCheminformatics

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2019
2019
Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks
Accurate prediction of drug-target interaction (DTI) is essential for in silico drug design. For the purpose, we propose a novel… 
2018
2018
Application of Computation in the Biosynthesis of Phytochemicals
Review
2017
Review
2017
Web Resources for Discovery and Development of New Medicines
Modern drug discovery is based on the analysis of information about disease mechanisms, molecular targets, and pharmacological… 
2016
2016
Computational study of quercetin effect on pre-apoptotic factors of Bad, Bak and Bim
Introduction: Quercetin is an effective compound which is found in many medicinal plants. Quercetin antioxidant properties… 
2016
2016
Finding Drugs with Common Downstream Effects, Using Direction Information in Biological Pathways
, 
2015
2015
Semantic-Web Access to Patent Annotations
SureChEMBL (https://www.surechembl.org) is a patent chemistry resource, originally a commercial product developed by SureChem… 
2013
2013
The AtlasCBS Application
2013
2013
Компьютерный прогноз взаимодействия низкомолекулярных органических соединений с белками-мишенями
The purpose of the study is development of a specialized version of the computer system PASS PASS Targets for computer-aided… 
Review
2012
Review
2012
The Study of the Biological Activity of Flavonoids by means of Computational Chemistry Methods Ph
Flavonoids represent a highly explored chemical class of natural compounds, as we underline by means of a concise bibliometric… 
2011
2011
Cloud Computing for Chemical Activity Prediction
This paper describes how cloud computing has been used to reduce the time taken to generate chemical activity models from years… 
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