R software for QSAR analysis in phytopharmacological studies.

Sanjoy Singh NingthoujamRajat NathSibashish KityaniaPranab Behari MazumderManabendra Dutta ChoudhuryAnupam Das TalukdarLutfun NaharSatyajit D Sarker

Published in: Phytochemical analysis : PCA (2023)

QSAR analysis is vital in drug design and natural product research. To develop a reliable QSAR model, it is essential to choose suitable descriptors and perform regression diagnostics. This study offers an accessible, customizable approach for researchers to select appropriate descriptors and diagnose errors in QSAR studies.

Keyphrases

molecular docking
molecular dynamics
structure activity relationship
emergency department
adverse drug
quality improvement