QSAR Models for Predicting Aquatic Toxicity of Esters Using Genetic Algorithm-Multiple Linear Regression Methods and Molecular Descriptors.

CONCLUSION: The predictive ability of the GA-MLR model with two selected molecular descriptors is satisfactory and it can be used for designing similar group and predicting of toxicity (log 1/IGC50) of ester derivatives. PMID: 31215375 [PubMed - as supplied by publisher]

https://www.ncbi.nlm.nih.gov/pubmed/31215375?dopt=Abstract

Source: Combinatorial Chemistry and High Throughput Screening - June 17, 2019 Category: Chemistry Authors: Shafiei F, Rajabi M Tags: Comb Chem High Throughput Screen Source Type: research