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.
|Content Type||Non OER|
|Uploaded By||Andrew Cornell|
|License||Copyright © 2008, Springer Science Business Media, LLC|
|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|