A QSAR Study for Antileishmanial 2-Phenyl-2,3-dihydrobenzofurans ^†.

ABSTRACT: Leishmaniasis, a parasitic disease that represents a threat to the life of millions of people around the globe, is currently lacking effective treatments. We have previously reported on the antileishmanial activity of a series of synthetic 2-phenyl-2,3-dihydrobenzofurans and some qualitative structure-activity relationships within this set of neolignan analogues. Therefore, in the present study, various quantitative structure-activity relationship (QSAR) models were created to explain and predict the antileishmanial activity of these compounds. Comparing the performance of QSAR models based on molecular descriptors and multiple linear regression, random forest, and support vector regression with models based on 3D molecular structures and their interaction fields (MIFs) with partial least

SUBMITTER: Bernal FA 

PROVIDER: S-EPMC10144340 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature