From in silico target prediction to multi-target drug design: current databases, methods and applications

A Koutsoukas, B Simms, J Kirchmair, PJ Bond… - Journal of …, 2011 - Elsevier
… 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 …

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 …

Comparison study of computational prediction tools for drug-target binding affinities

M Thafar, AB Raies, S Albaradei, M Essack… - Frontiers in …, 2019 - frontiersin.org
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 …

SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drugtarget interactions and drug repositioning

Z Wu, F Cheng, J Li, W Li, G Liu… - Briefings in …, 2017 - academic.oup.com
targets for new chemical entities and failed drugs on a large scale. In this study, we developed
a useful tool, namely substructure–drugtarget … potential targets for old drugs, failed drugs

Drugtarget interaction prediction: databases, web servers and computational models

X Chen, CC Yan, X Zhang, X Zhang, F Dai… - Briefings in …, 2016 - academic.oup.com
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 drugtarget

[HTML][HTML] Large-scale prediction of drugtarget relationships

M Kuhn, M Campillos, P González, LJ Jensen, P Bork - FEBS letters, 2008 - Elsevier
… 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

[HTML][HTML] A comprehensive review of feature based methods for drug target interaction prediction

K Sachdev, MK Gupta - Journal of biomedical informatics, 2019 - Elsevier
… 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 …

Network-based methods for prediction of drug-target interactions

Z Wu, W Li, G Liu, Y Tang - Frontiers in pharmacology, 2018 - frontiersin.org
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 …

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…

Protein network prediction and topological analysis in Leishmania major as a tool for drug target selection

AF Flórez, D Park, J Bhak, BC Kim, A Kuchinsky… - BMC …, 2010 - Springer
… 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. …