The kernel-weighted local polynomial regression (KwLPR) approach: an efficient, novel tool for development of QSAR/QSAAR toxicity extrapolation models

The kernel-weighted local polynomial regression (KwLPR) approach: an efficient, novel tool for development of QSAR/QSAAR toxicity extrapolation models

Abstract The ability of accurate predictions of biological response (biological activity/property/toxicity) of a given chemical makes the quantitative structure‐activity/property/toxicity relationship (QSAR/QSPR/QSTR) models unique among the in silico tools. In addition, experimental data of selecte...

Full description

Bibliographic Details
Main Authors: Agnieszka Gajewicz-Skretna, Supratik Kar, Magdalena Piotrowska, Jerzy Leszczynski
Format: Article
Language:English
Published: BMC 2021-02-01
Series:Journal of Cheminformatics
Subjects:
KwLPR
QSAR
QSAAR
Risk assessment
R-script
Interspecies extrapolation
Online Access:https://doi.org/10.1186/s13321-021-00484-5

Internet

https://doi.org/10.1186/s13321-021-00484-5

Similar Items