Software
Directory
Our Network
Top Titles
|
|
|
|
QMPRPlus
|
|
QMPRPlus is an advanced computer program that enables pharmaceutical
researchers to rapidly estimate a number of ADME properties
(listed below) of new chemical entities (NCE's) from their
molecular structure. These predictions can be further utilized
as inputs for our software product GastroPlus to calculate
fraction absorbed, or used internally by a highly accurate
screening filter called J-Alert. Estimates are quickly and
easily produced interactively or in batch, by simply inputting
the basic structural characteristics of a molecule. The program
accepts inputs in one of the following formats:
• SMILES strings (2D predictive models only)
• ISIS/Base Structure Data Format (SDF)
|
|
|
|
