What is new in the latest version of QikProp?
Please see the Download Center for the most up-to-date information about what is new in the latest version of QikProp. New features in QikProp 3.1 include: • Progress of QikProp jobs is displayed in the Monitor panel New features in QikProp 3.0 included: • Available on Windows • Additional descriptors, including Jorgensen’s drug-like Rule-of-Three • Use of molecular property databases to improve prediction of octanol/water partition coefficient (logP) and aqueous solubility (logS) • Improved % Human oral absorption qualitative prediction using a decision tree • Automatic identification of known drugs or compounds in a user-generated database most similar to processed ligands, through similarity in property space • LogD prediction using logP prediction from QikProp and pKa prediction from Epik • Use of a list of files as input to QikProp is no longer allowed. If you want to use multiple input files, you can use a script to run QikProp, or import the structures in to the Project Table, s
