Corporate Banner
Satellite Banner
Technology
Networks
Scientific Communities
 
Become a Member | Sign in
Home>News>This Article
  News
Return

Cresset Seeks Partners for Beta Testing of Groundbreaking New Activity Miner Module for Rapid 3D SAR Interpretation

Published: Tuesday, July 02, 2013
Last Updated: Tuesday, July 02, 2013
Bookmark and Share
At Field Based Chemistry Europe, Dr Tim Cheeseright presented a pre-release of Cresset’s new Activity Miner module.

The groundbreaking new science in Activity Miner helps researchers optimize their leads by identifying the key 3D structural and electrostatic changes that impact molecular activity.

Activity Miner explores the structure activity landscape of a set of molecules. For each pair of molecules, the difference between them in electrostatics, shape and structure is compared to the difference in activity. A small change in structure or electrostatics that results in a large change in activity is known as an activity cliff. Conversely, large structural changes resulting in little or no change in activity indicate bioisosteres. In each case, the comparison indicates an area of interest that merits further research.

Activity Miner uses Cresset’s molecular fields so that 3D electrostatic and shape similarities can be analyzed as well as 2D structural activity. This makes it meaningful to compare pairs of structurally diverse compounds and gives a more realistic insight into activity relationships.

“Based on internal validation experiments, we believe Activity Miner is a powerful tool for guiding lead optimization and mining the SAR to rapidly generate new and more active structures for experimental evaluation,” says Dr Mark Mackey, Cresset’s CSO.  “Activity Miner’s intuitive visualization makes it easy to identify interesting areas of a dataset.  The relationships between molecules can be displayed as a color coded disparity matrix, a table view, a cluster view or the innovative activity view.”

“Activity cliffs and matched molecular pairs have received a great deal of recent attention in the literature,” says Dr Tim Cheeseright, Director of Products at Cresset.  “So far as we are aware, Activity Miner is the first commercially available tool that enables researchers to use 3D and 2D activity cliffs to mine structure activity relationships in an intelligent and intuitive way.”


Further Information

Join For Free

Access to this exclusive content is for Technology Networks Premium members only.

Join Technology Networks Premium for free access to:

  • Exclusive articles
  • Presentations from international conferences
  • Over 3,000+ scientific posters on ePosters
  • More Than 4,400+ scientific videos on LabTube
  • 35 community eNewsletters


Sign In



Forgotten your details? Click Here
If you are not a member you can join here

*Please note: By logging into TechnologyNetworks.com you agree to accept the use of cookies. To find out more about the cookies we use and how to delete them, see our privacy policy.

Related Content

International Symposium on Compound Design Technologies
The symposium will be held on March 19th at the British Embassy in Tokyo and on March 20th at the British Consulate-General in Osaka.
Thursday, February 06, 2014
Cresset Grows Scientific Team
Company relocates to offices in Cambridge Cluster.
Thursday, August 22, 2013
Cresset Announces Excellent 2012 Sales Figures and Growth
Cresset provides computational chemistry software and consulting services.
Tuesday, January 22, 2013
Isogenica, Cresset Group and Biolauncher Secure Funding from UK’s Technology Strategy Board
Funding for a £1M project to develop new small molecule drug platform.
Thursday, June 07, 2012
Cresset Expands Professional Services Division
Cresset now provides more flexible service options including daily pricing, full project support and software-as-a-service.
Wednesday, February 01, 2012
Scientific News
Releasing Cancer Cells for Better Analysis
A new device developed at the University of Michigan could provide a non-invasive way to monitor the progress of an advanced cancer treatment.
Releasing Cancer Cells for Better Analysis
A new device developed at the University of Michigan could provide a non-invasive way to monitor the progress of an advanced cancer treatment.
Apricot Kernels Pose Risk of Cyanide Poisoning
Eating more than three small raw apricot kernels, or less than half of one large kernel, in a serving can exceed safe levels. Toddlers consuming even one small apricot kernel risk being over the safe level.
Cell Transplant Treats Parkinson’s in Mice
A University of Wisconsin—Madison neuroscientist has inserted a genetic switch into nerve cells so a patient can alter their activity by taking designer drugs that would not affect any other cell.
Understanding Female HIV Transmission
Glowing virus maps points of entry through entire female reproductive tract for first time.
Genetic Markers Influence Addiction
Differences in vulnerability to cocaine addiction and relapse linked to both inherited traits and epigenetics, U-M researchers find.
Lab-on-a-Chip for Detecting Glucose
By integrating microfluidic chips with fiber optic biosensors, researchers in China are creating ultrasensitive lab-on-a-chip devices to detect glucose levels.
A lncRNA Regulates Repair of DNA Breaks in Breast Cancer Cells
Findings give "new insight" into biology of tough-to-treat breast cancer.
COPD Linked to Increased Bacterial Invasion
Persistent inflammation in COPD may result from a defect in the immune system that allows airway bacteria to invade deeper into the lung.
Detection of HPV in First-Void Urine
Similar sensitivity of HPV test on first void urine sample compared to cervical smear.
Scroll Up
Scroll Down
Skyscraper Banner

Skyscraper Banner
Go to LabTube
Go to eposters
 
Access to the latest scientific news
Exclusive articles
Upload and share your posters on ePosters
Latest presentations and webinars
View a library of 1,800+ scientific and medical posters
3,000+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
4,400+ scientific videos
Close
Premium CrownJOIN TECHNOLOGY NETWORKS PREMIUM FOR FREE!