DSSTox Predicted Property Data 12/14/2016

2017-11-09T21:06:49Z (GMT) by Cameron Clark Antony Williams
A number of property prediction models were developed using curated data as described in the publication <a href="http://dx.doi.org/10.1080/1062936X.2016.1253611" target="_blank">“An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling”</a>. These property prediction models include logP, water solubility, bioconcentration factor and many others. The files include DTXSIDs, names and the predicted properties where possible. The models cannot predict properties for all chemicals contained in the database (for example, inorganics, organometallics and elements cannot be handled).