A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction

SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules

(2013) Julian Schwartz et al.   Journal of Chemical Information and Modeling

Predicting Drug-Target Interactions for New Drug Compounds Using a Weighted Nearest Neighbor Profile

(2013) Twan van Laarhoven et al.   PLoS One

Identification of chemogenomic features from drug-target interaction networks using interpretable classifiers

(2012) Y. Tabei et al.   BIOINFORMATICS

Drug target prediction using adverse event report systems: a pharmacogenomic approach

(2012) M. Takarabe et al.   BIOINFORMATICS

Predicting drug-target interactions from chemical and genomic kernels using Bayesian matrix factorization

(2012) M. Gonen   BIOINFORMATICS

3D Molecular Descriptors Important for Clinical Success

(2012) David C. Kombo et al.   Journal of Chemical Information and Modeling

In silicotoxicity prediction by support vector machine and SMILES representation-based string kernel

(2012) D.-S. Cao et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Gaussian interaction profile kernels for predicting drug–target interaction

(2011) Twan van Laarhoven et al.   BIOINFORMATICS

Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework

(2010) Y. Yamanishi et al.   BIOINFORMATICS

SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correlations with ideal slopes

(2010) A.A. Toropov et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

SIMCOMP/SUBCOMP: chemical structure search servers for network analyses

(2010) M. Hattori et al.   NUCLEIC ACIDS RESEARCH

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

(2010) Zhisong He et al.   PLoS One

Supervised prediction of drug–target interactions using bipartite local models

(2009) Kevin Bleakley et al.   BIOINFORMATICS

Ligand Prediction from Protein Sequence and Small Molecule Information Using Support Vector Machines and Fingerprint Descriptors

(2009) Hanna Geppert et al.   Journal of Chemical Information and Modeling

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

Applications of 2D Descriptors in Drug Design: A DRAGON Tale

(2008) Aliuska Helguera et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Mold2, Molecular Descriptors from 2D Structures for Chemoinformatics and Toxicoinformatics

(2008) Huixiao Hong et al.   Journal of Chemical Information and Modeling

Drug Target Identification Using Side-Effect Similarity

(2008) M. Campillos et al.   SCIENCE

Semantic text similarity using corpus-based word similarity and string similarity

(2008) Aminul Islam et al.   ACM Transactions on Knowledge Discovery from Data