SuperPred: update on drug classification and target prediction

Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

(2014) D. Reker et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Network predicting drug’s anatomical therapeutic chemical code

(2013) Yong-Cui Wang et al.   BIOINFORMATICS

The Transformer database: biotransformation of xenobiotics

(2013) Michael F. Hoffmann et al.   NUCLEIC ACIDS RESEARCH

Drug Target Prediction and Repositioning Using an Integrated Network-Based Approach

(2013) Dorothea Emig et al.   PLoS One

Drug Side-Effect Prediction Based on the Integration of Chemical and Biological Spaces

(2012) Yoshihiro Yamanishi et al.   Journal of Chemical Information and Modeling

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

(2012) Xing Chen et al.   Molecular BioSystems

Predicting Anatomical Therapeutic Chemical (ATC) Classification of Drugs by Integrating Chemical-Chemical Interactions and Similarities

(2012) Lei Chen et al.   PLoS One

Gaussian interaction profile kernels for predicting drug–target interaction

(2011) Twan van Laarhoven et al.   BIOINFORMATICS

Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery

(2011) F. Zhu et al.   NUCLEIC ACIDS RESEARCH

SuperTarget goes quantitative: update on drug-target interactions

(2011) N. Hecker et al.   NUCLEIC ACIDS RESEARCH

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Network Neighbors of Drug Targets Contribute to Drug Side-Effect Similarity

(2011) Lucas Brouwers et al.   PLoS One

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods

(2010) Jianxin Duan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

FragmentStore--a comprehensive database of fragments linking metabolites, toxic molecules and drugs

(2010) J. Ahmed et al.   NUCLEIC ACIDS RESEARCH

Concept-Based Semi-Automatic Classification of Drugs

(2009) Harsha Gurulingappa et al.   Journal of Chemical Information and Modeling

Network pharmacology: the next paradigm in drug discovery

(2008) Andrew L Hopkins   Nature Chemical Biology

Superimpose: a 3D structural superposition server

(2008) R. A. Bauer et al.   NUCLEIC ACIDS RESEARCH

SuperPred: drug classification and target prediction

(2008) M. Dunkel et al.   NUCLEIC ACIDS RESEARCH