Contains a set of methods for fitting models and methods for validating the resulting models. The statistical methodologies comprise a comprehensive collection of approaches whose validity and utility have been accepted by experts in the Cheminformatics field. As promising new methodologies emerge from the statistical and data-mining communities, they will be incorporated into the laboratory. These methods are aimed at discovering quantitative structure-activity relationships (QSARs). However, the user can directly input their own choices of descriptors and responses, so the capability for comparing models is effectively unlimited.
|Author||Jacqueline Hughes-Oliver [aut], Jeremy Ash [aut, cre], Atina Brooks [aut]|
|Maintainer||Jeremy Ash <[email protected]>|
|Package repository||View on GitHub|
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