Abstract
Optimal descriptors calculated with International Chemical Identifier (InChI) have been used to construct one-variable model of the solubility of fullerene C60 in organic solvents . Attempts to calculate the model for three splits into training and test sets gave stable results.
| Information | |
|---|---|
| Content Type | Non OER |
| Uploaded By | Andrew Cornell |
| DOI | https://doi.org/10.1007/s10910-008-9514-0 |
| License | Copyright © 2008, Springer Science Business Media, LLC |
| Content Status | publish |
| Number of Comments | No Comments |
| Date Published | January 6, 2006 |
| Content Tags | Algorithm, Audience, Cheminformatics, Content type, Curricular Material, Data Extraction, English, File Type, Graduate, HTML, InChI Algorithm and Description, InChI Application, Language, Organic Chemistry, PDF, Publication, Researcher, biochemistry |
