Abstract

DINIES (drug–target interaction network inference engine based on supervised analysis) is a web server for predicting unknown drug–target interaction networks from various types of biological data (e.g. chemical structures, drug side effects, amino acid sequences and protein domains) in the framework of supervised network inference. The originality of DINIES lies in prediction with state-of-the-art machine learning methods, in the integration of heterogeneous biological data and in compatibility with the KEGG database. The DINIES server accepts any ‘profiles’ or precalculated similarity matrices (or ‘kernels’) of drugs and target proteins in tab-delimited file format. When a training data set is submitted to learn a predictive model, users can select either known interaction information in the KEGG DRUG database or their own interaction data. The user can also select an algorithm for supervised network inference, select various parameters in the method and specify weights for heterogeneous data integration. The server can provide integrative analyses with useful components in KEGG, such as biological pathways, functional hierarchy and human diseases. DINIES (http://www.genome.jp/tools/dinies/) is publicly available as one of the genome analysis tools in GenomeNet.

Highlights

  • The identification of drug–target interactions, which are defined as interactions between drugs and target proteins, is an important part of genomic drug discovery

  • CDRUG is a web server used for predicting anticancer activity from chemical structures of compounds encoded by the Daylight fingerprint [15], and COPICAT is a web service for predicting compound–protein interactions from chemical structures of compounds and amino acid triplet frequencies of proteins [16]

  • We present drug–target interaction network inference engine based on supervised analysis (DINIES; http://www.genome.jp/tools/dinies/), a web server for predicting unknown drug–target interaction networks from various types of biological data

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Summary

Introduction

The identification of drug–target interactions, which are defined as interactions between drugs (or drug candidate compounds) and target proteins (or target candidate proteins), is an important part of genomic drug discovery. We present drug–target interaction network inference engine based on supervised analysis (DINIES; http://www.genome.jp/tools/dinies/), a web server for predicting unknown drug–target interaction networks from various types of biological data The user can explore precalculated drug–target interaction networks that were predicted with available data in KEGG or other databases.

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