Comments on prediction of the aqueous solubility using the general solubility equation (GSE) versus a genetic algorithm and a support vector machine model.

Abstract:

:The general solubility equation (GSE) is the state-of-the-art method for estimating the aqueous solubilities of organic compounds. It is an extremely simple equation that expresses aqueous solubility as a function of only two inputs: the octanol-water partition coefficient calculated by readily available softwares like clogP and ACD/logP, and the commonly known melting point of the solute. Recently, Bahadori et al. proposed that their genetic algorithm support vector machine is a "better" predictor. This paper compares the use of the of Bahadori et al. model for the prediction of aqueous solubility to the existing GSE model.

journal_name

Pharm Dev Technol

authors

Alantary D,Yalkowsky S

doi

10.1080/10837450.2017.1321663

subject

Has Abstract

pub_date

2018-09-01 00:00:00

pages

739-740

issue

7

eissn

1083-7450

issn

1097-9867

journal_volume

23

pub_type

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