Take the 2-minute tour ×
Biology Stack Exchange is a question and answer site for biology researchers, academics, and students. It's 100% free, no registration required.

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.

share|improve this question
add comment

2 Answers

up vote 3 down vote accepted

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:

Perhaps the above will help.

share|improve this answer
add comment

Click2drug is a good ressource for in silico studies.

See this link.

share|improve this answer
add comment

Your Answer

 
discard

By posting your answer, you agree to the privacy policy and terms of service.

Not the answer you're looking for? Browse other questions tagged or ask your own question.