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

Chembench: a cheminformatics workbench

(2010) Theo Walker et al.   BIOINFORMATICS

Accelerated similarity searching and clustering of large compound sets by geometric embedding and locality sensitive hashing

(2010) Yiqun Cao et al.   BIOINFORMATICS

PubChem as a public resource for drug discovery

(2010) Qingliang Li et al.   DRUG DISCOVERY TODAY

WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications

(2010) Qian Zhu et al.   Journal of Cheminformatics

Towards interoperable and reproducible QSAR analyses: Exchange of datasets

(2010) Ola Spjuth et al.   Journal of Cheminformatics

Molecular structure input on the web

(2010) Peter Ertl   Journal of Cheminformatics

Small Molecule Subgraph Detector (SMSD) toolkit

(2009) Syed Rahman et al.   Journal of Cheminformatics

ChemmineR: a compound mining framework for R

(2008) Y. Cao et al.   BIOINFORMATICS

A maximum common substructure-based algorithm for searching and predicting drug-like compounds

(2008) Yiqun Cao et al.   BIOINFORMATICS

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

(2008) Noel M O'Boyle et al.   Chemistry Central Journal

Chemical Descriptors Library (CDL): A Generic, Open Source Software Library for Chemical Informatics

(2008) Vladimir J. Sykora et al.   Journal of Chemical Information and Modeling