Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Antitumor Activity of Anthrapyrazole Derivatives

Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Antitumor Activity of Anthrapyrazole Derivatives

An approach using multivariate adaptive regression splines (MARSplines) was applied for quantitative structure–activity relationship studies of the antitumor activity of anthrapyrazoles. At the first stage, the structures of anthrapyrazole derivatives were subjected to geometrical optimization by th...

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Bibliographic Details
Main Authors: Marcin Gackowski, Karolina Szewczyk-Golec, Robert Pluskota, Marcin Koba, Katarzyna Mądra-Gackowska, Alina Woźniak
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:International Journal of Molecular Sciences
Subjects:
anthrapyrazoles
antitumor activity
multivariate adaptive regressions splines
quantitative structure-activity relationships (QSAR)
Online Access:https://www.mdpi.com/1422-0067/23/9/5132

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