Evaluation of QSAR Equations for Virtual Screening

Evaluation of QSAR Equations for Virtual Screening

Quantitative Structure Activity Relationship (QSAR) models can inform on the correlation between activities and structure-based molecular descriptors. This information is important for the understanding of the factors that govern molecular properties and for designing new compounds with favorable pr...

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Bibliographic Details
Main Authors: Jacob Spiegel, Hanoch Senderowitz
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:International Journal of Molecular Sciences
Subjects:
Quantitative Structure Activity Relationship (QSAR) models
QSAR equations
virtual screening (VS)
enrichment-based optimization
multiple linear regression (MLR), random forest (RF), support vector machine (SVM), enrichment optimizer algorithm (EOA)
Online Access:https://www.mdpi.com/1422-0067/21/21/7828

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https://www.mdpi.com/1422-0067/21/21/7828

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