DeepPurpose: a deep learning library for drug–target interaction prediction

K Huang, T Fu, LM Glass, M Zitnik, C Xiao… - Bioinformatics, 2020 - academic.oup.com
… of drug–target interactions (DTI) is crucial for drug discovery. Recently, deep learning (DL) …
We present DeepPurpose, a comprehensive and easy-to-use DL library for DTI prediction. …

Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods

C Reynès, H Host, AC Camproux… - PLoS computational …, 2010 - journals.plos.org
… space between today's chemical libraries and PPI physico-… libraries enriched in putative
PPI inhibitors. Here, we show how chemoinformatics can assist library design by learning

Predicting drug-target interactions for new drug compounds using a weighted nearest neighbor profile

T Van Laarhoven, E Marchiori - PloS one, 2013 - journals.plos.org
… They are used as current standard benchmark data for comparing the performance of machine
learning algorithms for drug-target interaction. We use these datasets as they are without …

Drug target interaction prediction using machine learning techniques–a review

A Suruliandi, T Idhaya, SP Raja - 2024 - reunir.unir.net
… Researchers have been at work trying to determine new Drug Target Interactions (DTI) that
… to a target. Machine learning (ML) techniques help establish the interaction between drugs …

Prediction of drug–target interaction networks from the integration of chemical and genomic spaces

Y Yamanishi, M Araki, A Gutteridge, W Honda… - …, 2008 - academic.oup.com
… , target sequence similarity and the drug–target interaction network … unknown drug–target
interaction networks from chemical … drug–target interaction inference as a supervised learning

Drug—target interaction prediction with a deep-learning-based model

L Xie, Z Zhang, S He, X Bo… - 2017 IEEE international …, 2017 - ieeexplore.ieee.org
… In this paper, we modeled drug-target interaction prediction … a deep-learning-based model
to predict potential interactions. … predicted more credible drug-target interactions. What’s more, …

Gaussian interaction profile kernels for predicting drug–target interaction

T Van Laarhoven, SB Nabuurs, E Marchiori - Bioinformatics, 2011 - academic.oup.com
… machine learning method that uses the drug–target network … new interactions in a drug–target
interaction network. Formally… 1 , t 2 ,…, t n t } of target proteins. There is also a set of known …

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

K Sachdev, MK Gupta - Journal of biomedical informatics, 2019 - Elsevier
target interaction is a prominent research area in the field of drug discovery. It refers to the
recognition of interactions … Wet lab experiments to identify these interactions are expensive as …

A semi-supervised method for drug-target interaction prediction with consistency in networks

H Chen, Z Zhang - PloS one, 2013 - journals.plos.org
… Furthermore, target proteins need also to be predicted for some new drugs without any known
target interaction information. In this paper, a semi-supervised learning method NetCBP is …

A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data

H Yu, J Chen, X Xu, Y Li, H Zhao, Y Fang, X Li, W Zhou… - PloS one, 2012 - journals.plos.org
… To predict the drug-target interactions, we have designed a set of in silico tools by … All
these further suggest that the learning algorithms based on the general chemicals and …