In Silicotarget fishing: addressing a “Big Data” problem by ligand-based similarity rankings with data fusion

The ChEMBL bioactivity database: an update

(2013) A. Patrícia Bento et al.   NUCLEIC ACIDS RESEARCH

The relationship between rational drug design and drug side effects

(2011) J. Wang et al.   BRIEFINGS IN BIOINFORMATICS

Identifying Compound-Target Associations by Combining Bioactivity Profile Similarity Search and Public Databases Mining

(2011) Tiejun Cheng et al.   Journal of Chemical Information and Modeling

Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation

(2011) Fei Wang et al.   Journal of Chemical Information and Modeling

Exploring Polypharmacology Using a ROCS-Based Target Fishing Approach

(2011) Mohamed Diwan M. AbdulHameed et al.   Journal of Chemical Information and Modeling

From in silico target prediction to multi-target drug design: Current databases, methods and applications

(2011) Alexios Koutsoukas et al.   Journal of Proteomics

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

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

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

ChEMBL: a large-scale bioactivity database for drug discovery

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

Predicting Polypharmacology by Binding Site Similarity: From Kinases to the Protein Universe

(2010) Francesca Milletti et al.   Journal of Chemical Information and Modeling

Extended-Connectivity Fingerprints

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

Structure-Based Approaches to Target Fishing and Ligand Profiling

(2010) Didier Rognan   Molecular Informatics

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach

(2010) Xiaofeng Liu et al.   NUCLEIC ACIDS RESEARCH

DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs

(2010) C. Knox et al.   NUCLEIC ACIDS RESEARCH

[6]-Gingerol Suppresses Colon Cancer Growth by Targeting Leukotriene A4 Hydrolase

(2009) Chul-Ho Jeong et al.   CANCER RESEARCH

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

PDTD: a web-accessible protein database for drug target identification

(2008) Zhenting Gao et al.   BMC BIOINFORMATICS