QSAR ligand dataset for modelling mutagenicity, genotoxicity, and rodent carcinogenicity

Davy Guan; Kevin Fan; Ian Spence; Slade Matthews

doi:10.1016/j.dib.2018.01.077

QSAR ligand dataset for modelling mutagenicity, genotoxicity, and rodent carcinogenicity

Data Brief. 2018 Feb 2:17:876-884. doi: 10.1016/j.dib.2018.01.077. eCollection 2018 Apr.

Authors

Davy Guan¹, Kevin Fan¹, Ian Spence¹, Slade Matthews¹

Affiliation

¹ Pharmacoinformatics Laboratory, Sydney Medical School, The University of Sydney, Australia.

Abstract

Five datasets were constructed from ligand and bioassay result data from the literature. These datasets include bioassay results from the Ames mutagenicity assay, Greenscreen GADD-45a-GFP assay, Syrian Hamster Embryo (SHE) assay, and 2 year rat carcinogenicity assay results. These datasets provide information about chemical mutagenicity, genotoxicity and carcinogenicity.