QSAR DataBank - an approach for the digital organization and archiving of QSAR model information

From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions

(2013) Villu Ruusmann et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI

(2012) Noel M O’Boyle   Journal of Cheminformatics

The Chemical Information Ontology: Provenance and Disambiguation for Chemical Data on the Biological Semantic Web

(2011) Janna Hastings et al.   PLoS One

CML: Evolution and design

(2011) Peter Murray-Rust et al.   Journal of Cheminformatics

ChemSpider: An Online Chemical Information Resource

(2010) Harry E. Pence et al.   JOURNAL OF CHEMICAL EDUCATION

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Towards interoperable and reproducible QSAR analyses: Exchange of datasets

(2010) Ola Spjuth et al.   Journal of Cheminformatics

Bioclipse 2: A scriptable integration platform for the life sciences

(2009) Ola Spjuth et al.   BMC BIOINFORMATICS