From in silico target prediction to multi-target drug design: current databases, methods and applications
… In this context, and this is the subject of this review, the use of target prediction tools can
help us to better anticipate the bioactivity spectra of compounds earlier, and in a much more …
help us to better anticipate the bioactivity spectra of compounds earlier, and in a much more …
Computational/in silico methods in drug target and lead prediction
FE Agamah, GK Mazandu, R Hassan… - Briefings in …, 2020 - academic.oup.com
… Here, we present an overview of various computational methods and tools applied in
predicting or validating drug targets and drug-like molecules. We provide an overview on their …
predicting or validating drug targets and drug-like molecules. We provide an overview on their …
Comparison study of computational prediction tools for drug-target binding affinities
… drug functioning context. Most methods developed to date use binary classification to predict
if the interaction between a drug and its target … binding between a drug and its target. If that …
if the interaction between a drug and its target … binding between a drug and its target. If that …
SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug–target interactions and drug repositioning
… targets for new chemical entities and failed drugs on a large scale. In this study, we developed
a useful tool, namely substructure–drug–target … potential targets for old drugs, failed drugs …
a useful tool, namely substructure–drug–target … potential targets for old drugs, failed drugs …
Drug–target interaction prediction: databases, web servers and computational models
… drug targets. The database focuses on those drug targets with known 3D structures, and
the drug targets … NRWRH makes full use of the network tool for data integration and drug–target …
the drug targets … NRWRH makes full use of the network tool for data integration and drug–target …
[HTML][HTML] Large-scale prediction of drug–target relationships
… This provides a foundation for the construction of tools that integrate such interactions with
… for predicting relationships between drugs; to our knowledge currently only one public tool …
… for predicting relationships between drugs; to our knowledge currently only one public tool …
[HTML][HTML] A comprehensive review of feature based methods for drug target interaction prediction
… Section 2 highlights the various tools and terms related to drug target interaction. It mentions
the important datasets, tools for calculating descriptors and the numerous metrics that have …
the important datasets, tools for calculating descriptors and the numerous metrics that have …
Network-based methods for prediction of drug-target interactions
… target prediction and experimental validation, we may exploit new uses for approved drugs
(… -based for DTI prediction still have limitations, they provide alternative tools for studies in …
(… -based for DTI prediction still have limitations, they provide alternative tools for studies in …
Drug-target interactions: prediction methods and applications
S Anusuya, M Kesherwani, KV Priya… - Current Protein and …, 2018 - ingentaconnect.com
… Hence, drug-target interaction prediction becomes an essential tool in the field of … for
predicting drug-target interactions along with available webservers and databases for drug-target in…
predicting drug-target interactions along with available webservers and databases for drug-target in…
Protein network prediction and topological analysis in Leishmania major as a tool for drug target selection
… and betweenness centrality, we detected 142 potential drug targets after homology
filtering with the human proteome. Further experiments can be done to validate these targets. …
filtering with the human proteome. Further experiments can be done to validate these targets. …
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