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Octanol-water partition coefficient calculation software tools | Drug metabolism

The octanol/water partition coefficient, logP, is one of the most important physico-chemical parameters for the development of new metal-based anticancer drugs with improved pharmacokinetic properties.Source text:(Tetko et al., 2016) Prediction of…
Percepta…
Desktop

Percepta Predictors

Predicts properties from simple structure input. Percepta Predictors is an…

Predicts properties from simple structure input. Percepta Predictors is an in-depth understanding of structure-property relationships with ACD/Labs' fully powered predictive models for…

Calculator…
Desktop

Calculator Plugins

Uses as a range of structure based prediction tools. ChemAxon’s Calculator…

Uses as a range of structure based prediction tools. ChemAxon’s Calculator Plugin suite is a cheminformatics toolkit built on integrated technologies that achieve unmatched performance and…

Interactive…
Web

Interactive logP calculator

Allows calculation of other molecular properties including PSA, Rule of 5…

Allows calculation of other molecular properties including PSA, Rule of 5 parameters and molecular drug-likeness. Interactive logP calculator is the Molinspiration Property Calculator. This web…

PrologP
Desktop

PrologP

Provides an indispensable instrument for predicting logP values before…

Provides an indispensable instrument for predicting logP values before synthesis. CompuDrug's PrologP calculates the accurate logP values (negative logarithms of the n-octanol/water partition…

ALOGPS
Web

ALOGPS

Provides interactive on-line prediction of logP, water solubility and pKa(s) of…

Provides interactive on-line prediction of logP, water solubility and pKa(s) of compounds for drug design (ADME/T and HTS) and environmental chemistry studies. ALOGPs was developed with 12908…

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