Study of the Applicability Domain of the QSAR Classification Models by Means of the Rivality and Modelability Indexes

Study of the Applicability Domain of the QSAR Classification Models by Means of the Rivality and Modelability Indexes

The reliability of a QSAR classification model depends on its capacity to achieve confident predictions of new compounds not considered in the building of the model. The results of this external validation process show the applicability domain (AD) of the QSAR model and, therefore, the robustness of...

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Bibliographic Details
Main Authors: Irene Luque Ruiz, Miguel Ángel Gómez-Nieto
Format: Article
Language:English
Published: MDPI AG 2018-10-01
Series:Molecules
Subjects:
QSAR
classification model
applicability domain
rivality index
modelability index
Online Access:https://www.mdpi.com/1420-3049/23/11/2756

Internet

https://www.mdpi.com/1420-3049/23/11/2756

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