chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning models

chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning models

Abstract The goal of chemmodlab is to streamline the fitting and assessment pipeline for many machine learning models in R, making it easy for researchers to compare the utility of these models. While focused on implementing methods for model fitting and assessment that have been accepted by experts...

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Bibliographic Details
Main Authors: Jeremy R. Ash, Jacqueline M. Hughes-Oliver
Format: Article
Language:English
Published: BMC 2018-11-01
Series:Journal of Cheminformatics
Subjects:
Machine learning
QSAR
R package
Initial enhancement
Enrichment factor
Accumulation curve
Online Access:http://link.springer.com/article/10.1186/s13321-018-0309-4

Internet

http://link.springer.com/article/10.1186/s13321-018-0309-4

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