A multi-fingerprint browser for the ZINC database

ZINClick: A Database of 16 Million Novel, Patentable, and Readily Synthesizable 1,4-Disubstituted Triazoles

(2014) Alberto Massarotti et al.   Journal of Chemical Information and Modeling

MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13

(2013) Mahendra Awale et al.   Journal of Chemical Information and Modeling

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

Hit Identification and Optimization in Virtual Screening: Practical Recommendations Based on a Critical Literature Analysis

(2013) Tian Zhu et al.   JOURNAL OF MEDICINAL CHEMISTRY

JSME: a free molecule editor in JavaScript

(2013) Bruno Bienfait et al.   Journal of Cheminformatics

Exploring Chemical Space for Drug Discovery Using the Chemical Universe Database

(2012) Jean-Louis Reymond et al.   ACS Chemical Neuroscience

ZINC: A Free Tool to Discover Chemistry for Biology

(2012) John J. Irwin et al.   Journal of Chemical Information and Modeling

Visualization and Virtual Screening of the Chemical Universe Database GDB-17

(2012) Lars Ruddigkeit et al.   Journal of Chemical Information and Modeling

ZINCPharmer: pharmacophore search of the ZINC database

(2012) D. R. Koes et al.   NUCLEIC ACIDS RESEARCH

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections

(2011) David Lagorce et al.   BIOINFORMATICS

Discovery of α7-Nicotinic Receptor Ligands by Virtual Screening of the Chemical Universe Database GDB-13

(2011) Lorenz C. Blum et al.   Journal of Chemical Information and Modeling

Visual Characterization and Diversity Quantification of Chemical Libraries: 2. Analysis and Selection of Size-Independent, Subspace-Specific Diversity Indices

(2011) Lionel Colliandre et al.   Journal of Chemical Information and Modeling

ChemMine tools: an online service for analyzing and clustering small molecules

(2011) T. W. H. Backman et al.   NUCLEIC ACIDS RESEARCH

Principles of early drug discovery

(2010) JP Hughes et al.   BRITISH JOURNAL OF PHARMACOLOGY

Cheminformatics approaches to analyze diversity in compound screening libraries

(2010) Lakshmi B Akella et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation

(2010) Hanna Geppert et al.   Journal of Chemical Information and Modeling

Extended-Connectivity Fingerprints

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

Molecular Shape and Medicinal Chemistry: A Perspective

(2010) Anthony Nicholls et al.   JOURNAL OF MEDICINAL CHEMISTRY

Quo Vadis, Virtual Screening? A Comprehensive Survey of Prospective Applications

(2010) Peter Ripphausen et al.   JOURNAL OF MEDICINAL CHEMISTRY

Classification of Organic Molecules by Molecular Quantum Numbers

(2009) Kong T. Nguyen et al.   ChemMedChem

Toward Novel Universal Descriptors: Charge Fingerprints

(2009) Frank R. Burden et al.   Journal of Chemical Information and Modeling

Alpha Shapes Applied to Molecular Shape Characterization Exhibit Novel Properties Compared to Established Shape Descriptors

(2009) J. Anthony Wilson et al.   Journal of Chemical Information and Modeling