TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models

Toward more realistic drug-target interaction predictions

(2014) T. Pahikkala et al.   BRIEFINGS IN BIOINFORMATICS

Reverse docking: a powerful tool for drug repositioning and drug rescue

(2014) Prashant S Kharkar et al.   Future Medicinal Chemistry

DDI-CPI, a server that predicts drug–drug interactions through implementing the chemical–protein interactome

(2014) Heng Luo et al.   NUCLEIC ACIDS RESEARCH

DINIES: drug–target interaction network inference engine based on supervised analysis

(2014) Yoshihiro Yamanishi et al.   NUCLEIC ACIDS RESEARCH

ChemoPy: freely available python package for computational biology and chemoinformatics

(2013) Dong-Sheng Cao et al.   BIOINFORMATICS

PyDPI: Freely Available Python Package for Chemoinformatics, Bioinformatics, and Chemogenomics Studies

(2013) Dong-Sheng Cao et al.   Journal of Chemical Information and Modeling

Genome-Scale Screening of Drug-Target Associations Relevant to Ki Using a Chemogenomics Approach

(2013) Dong-Sheng Cao et al.   PLoS One

iGPCR-Drug: A Web Server for Predicting Interaction between GPCRs and Drugs in Cellular Networking

(2013) Xuan Xiao et al.   PLoS One

Large-scale prediction of drug–target interactions using protein sequences and drug topological structures

(2012) Dong-Sheng Cao et al.   ANALYTICA CHIMICA ACTA

Fragment-Based Approaches in Drug Discovery and Chemical Biology

(2012) Duncan E. Scott et al.   BIOCHEMISTRY

CDRUG: a web server for predicting anticancer activity of chemical compounds

(2012) Gong-Hua Li et al.   BIOINFORMATICS

Relating drug-protein interaction network with drug side effects

(2012) S. Mizutani et al.   BIOINFORMATICS

Drug–target interaction prediction by learning from local information and neighbors

(2012) Jian-Ping Mei et al.   BIOINFORMATICS

Large-scale prediction of adverse drug reactions using chemical, biological, and phenotypic properties of drugs

(2012) Mei Liu et al.   JOURNAL OF THE AMERICAN MEDICAL INFORMATICS ASSOCIATION

Drug–target interaction prediction by random walk on the heterogeneous network

(2012) Xing Chen et al.   Molecular BioSystems

Prediction of chemical–protein interactions: multitarget-QSAR versus computational chemogenomic methods

(2012) Feixiong Cheng et al.   Molecular BioSystems

ADMET Evaluation in Drug Discovery. 12. Development of Binary Classification Models for Prediction of hERG Potassium Channel Blockage

(2012) Sichao Wang et al.   MOLECULAR PHARMACEUTICS

Flaws in evaluation schemes for pair-input computational predictions

(2012) Yungki Park et al.   NATURE METHODS

A Systematic Prediction of Multiple Drug-Target Interactions from Chemical, Genomic, and Pharmacological Data

(2012) Hua Yu et al.   PLoS One

Prediction of Chemical-Protein Interactions Network with Weighted Network-Based Inference Method

(2012) Feixiong Cheng et al.   PLoS One

Data-Driven Prediction of Drug Effects and Interactions

(2012) N. P. Tatonetti et al.   Science Translational Medicine

Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference

(2012) Feixiong Cheng et al.   PLoS Computational Biology

Gaussian interaction profile kernels for predicting drug–target interaction

(2011) Twan van Laarhoven et al.   BIOINFORMATICS

PREDICT: a method for inferring novel drug indications with application to personalized medicine

(2011) A. Gottlieb et al.   Molecular Systems Biology

DRAR-CPI: a server for identifying drug repositioning potential and adverse drug reactions via the chemical–protein interactome

(2011) Heng Luo et al.   NUCLEIC ACIDS RESEARCH

Semi-supervised drug-protein interaction prediction from heterogeneous biological spaces

(2010) Zheng Xia et al.   BMC Systems Biology

Predicting Drug-Target Interaction Networks Based on Functional Groups and Biological Features

(2010) Zhisong He et al.   PLoS One

Discovery of drug mode of action and drug repositioning from transcriptional responses

(2010) F. Iorio et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Predicting Drug–Drug Interactions: An FDA Perspective

(2009) Lei Zhang et al.   AAPS Journal

Supervised prediction of drug–target interactions using bipartite local models

(2009) Kevin Bleakley et al.   BIOINFORMATICS

Identifying Network of Drug Mode of Action by Gene Expression Profiling

(2009) Francesco Iorio et al.   JOURNAL OF COMPUTATIONAL BIOLOGY

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

Protein-ligand interaction prediction: an improved chemogenomics approach

(2008) Laurent Jacob et al.   BIOINFORMATICS

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

(2008) Y. Yamanishi et al.   BIOINFORMATICS

Naïve Bayes Classification Using 2D Pharmacophore Feature Triplet Vectors

(2008) Paul Watson   Journal of Chemical Information and Modeling

Drug Target Identification Using Side-Effect Similarity

(2008) M. Campillos et al.   SCIENCE