QSAR - SciPredict: Chemical Prediction Software

Dear QSAR members

You may find the new SciPredict, Chemical Prediction Software, interesting. It can be downloaded from www.scimetrics.com

SciPredict is a new generation chemical prediction program that uses robust non-linear models derived from large databases of experimental data.
 
Chemical properties such as vapour pressure, partition coefficients and other physicochemical or bioactive properties are ultimately related to chemical structure; the atoms, bonds and topology.
 
SciPredict software uses models produced by Bayesian Regularised Neural Networks together with an array of molecular descriptors to model the required activity.
 
SciPredict is downloadable from www.scimetrics.com together with a free, time limited, model of vapour pressure. Other models can be accessed by purchasing a license key .
 
 
Models currently available are
  Vapour Pressure
 
  LogP
 
  Henry’ Law
 
  Water Solubility
Other models will become available soon.
By arrangement, SciPredict can be customized to include users data for other chemical properties.
For further information contact
www.scimetrics.com
 
or
 
Dr Frank Burden
SciMetrics
23 Harrow Street
Blackburn South
VIC 3130 Australia
frank.burden_._scimetrics.com
Received on 2003-01-21 - 07:08 GMT