What is ADMET Predictor™?

The ADMET Predictor Module extends the capability of GastroPlus by enabling you to obtain prediction from structure of all physicochemical, as well as some pharmacokinetic, parameters required for GastroPlus simulations. The module uses the same models as our #1-rated ADMET Predictor software.

This module automatically generates predictions for:

     • NEW! Biorelevant solubility (FaSSIF, FeSSIF, and FaSSGF)

     • NEW! Rabbit corneal permability

     • pKa(s)

     • Solubility-vs-pH profile

     • logD-vs-pH profile

     • Human effective permeability

     • Diffusion coefficient in water

     • Human plasma protein binding

     • Human volume of distribution

     • Human blood:plasma concentration ratio

by simply importing compound structures!

The ADMET Predictor Module has two critical benefits:

     (1) by loading a library of chemical structures, you can quickly set up a database for screening  fraction absorbed –  decide which compounds to carry forward into in vivo studies

     (2) with only a compound’s structure, begin evaluating different formulation strategies to assess the importance of factors like particle size, solubility and dose on absorption

For further information about licensing the GastroPlus ADMET Predictor Module, please contact:

Mr. John DiBella
Director, Marketing & Sales
661-723-7723 ext. 244
john.dibella@simulations-plus.com