QSAR modelling in pharmacology basically hangs on using mathematical modelling to approximate the effects different molecules will have on various pharmacological targets. I would like to know what software there is available to assist me in doing these studies.
On the G6G Directory of OMICS and Intelligent software, I searched for "QSAR Analysis, and received two product abstracts:
1) SYBYL®-X Suite which contained:
- 3D QSAR: use the power of industry leading CoMFA in a new way to generate novel ideas for R-groups - predict the level of biological activity or potency based on structure-activity data, Not just yes/No activity predictions;
Cheminformatics: produce highly focused queries that avoid false positives using a rich set of 3D queries; on-the-fly conformational searching means you only store a single conformation of your molecules, keeping database size small and very transportable; and...
2) Fujitsu GhostMiner
GhostMiner can be employed in a number of business intelligence areas and the following areas:
Bioinformatics - genetics, proteomics, Quantitative Structure Activity Relationship (QSAR) modeling...
Link to this abstract: http://g6g-softwaredirectory.com/ai/neural-networks/20154-FQS-Poland-Fujitsu-GhostMiner.php
Perhaps the above will help.Tweet