What software is there available for Quantitative structure–activity relationship (QSAR) pharmacological studies?

Question

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.

Answer 1

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...

  Link to this abstract: http://g6g-softwaredirectory.com/bio/proteomics/structure-modeling/20710-Tripos-SYBYL-X-Suite.php

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.

Answer 2

Click2drug is a good ressource for in silico studies.

See this link.