Corporate Banner
Satellite Banner
Informatics
Scientific Community
 
Become a Member | Sign in
Home>News>This Article
  News
Return

StarDrop 5.3 Offers Intuitive Virtual Library Design

Published: Wednesday, November 21, 2012
Last Updated: Wednesday, November 21, 2012
Bookmark and Share
Optibrium extends StarDrop’s capabilities to guide the design of high quality compound libraries for drug discovery

Optibrium™, developer of software solutions for drug discovery, today announces a new version of its StarDrop platform. Version 5.3 introduces new features focused on the design of virtual libraries, guided by StarDrop’s unique multi-parameter optimisation capabilities to prioritise compounds with the best balance of properties for synthesis and testing.

Version 5.3 introduces its virtual library design capability as part of StarDrop’s Nova™ module, providing flexible and easy scaffold-based enumeration of a virtual library to allow drug discovery teams to rapidly explore new chemistry ideas. After drawing the scaffold on which the library will be based, users can select multiple functional groups, atoms or fragments to vary at each point of modification. These lists may be selected from a user-defined or centrally managed library, or sketched on an individual basis. A fully combinatorial library may be generated for detailed investigation or, alternatively, a subset of compounds can be automatically selected based on a predicted property or StarDrop’s unique Probabilistic Scoring algorithm for multi-parameter optimisation.

These new capabilities are supported by further enhancements to StarDrop’s core features, including easy-to-use tools for clustering, filtering based on substructure or properties and extensions to its interactive data visualisation. StarDrop offers a comprehensive desktop environment that saves time and reduces costs in drug discovery by guiding compound design and selection to quickly target high quality chemistry. These include plug-in modules providing: rigorously validated ADME QSAR models; quantum mechanical prediction of P450 metabolism; automatic generation of robust QSAR models; compound idea generation; application of 3D SAR based on Cresset’s™ Field technology; and the ability to integrate seamlessly with other informatics and modelling platforms.

Matt Segall, CEO of Optibrium, commented, “StarDrop offers a seamless workflow allowing our users to go from design and enumeration of a virtual library, through property prediction to prioritising the resulting compounds against the profile of properties they require for their project objective. Supported by interactive visualisations in StarDrop’s intuitive user interface, chemistry teams can quickly identify novel compounds with a high chance of success.”  Matt goes onto explain, “Many of the enhancements to StarDrop come as a direct result of working collaboratively with our users, which now include over 50 companies world-wide and seven of the top-ten pharma.”


Further Information
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 2,500+ scientific posters on ePosters
  • More than 3,700+ 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

Optibrium and Certara Collaborate
Collaboration will see integration of Optibrium’s StarDrop and Certera’s D360 platform.
Tuesday, April 21, 2015
Optibrium and ChemAxon Collaborate
Interface between StarDrop and Plexus facilitates seamless access to both software platforms.
Wednesday, April 15, 2015
Optibrium and NextMove Software Announce Technology Collaboration
Automatic application of Matsy method for matched series analysis within StarDrop™ will guide compound optimization in drug discovery.
Friday, January 16, 2015
Optibrium Appoints Director of Computational Chemistry
Appointment of Dr Peter Hunt represents part of further growth across all areas of its business.
Tuesday, April 29, 2014
Optibrium Joins HeCaToS Project and Expands R&D Team
The Hepatic and Cardiac Toxicity Systems project is a major European project with the objective to efficiently investigate the health impact of compounds on the heart and liver.
Tuesday, October 08, 2013
Optibrium Goes from Strength to Strength as Global Customer Base Continues to Grow
Company celebrates growth in all areas of the company as it enters its fourth year of business.
Friday, September 21, 2012
Optibrium and Cresset Announce Technology Collaboration
Technology exchange combines unique methods for design of novel, high quality compounds in drug discovery.
Thursday, January 05, 2012
Optibrium Showcases StarVue at ACS Spring 2010
Offering an Innovative Free Way to Explore Compound Data for Drug Discovery
Thursday, February 18, 2010
Scientific News
Searching Big Data Faster
Theoretical analysis could expand applications of accelerated searching in biology, other fields.
Imaging Software Could Speed Breast Cancer Diagnosis
Technology could improve access to diagnostic services in developing countries.
Data Mining DNA For Polycystic Ovary Syndrome Genes
A new Northwestern Medicine genome-wide association study of PCOS – the first of its kind to focus on women of European ancestry – has provided important new insights into the underlying biology of the disorder.
Firefly Protein Enables Visualization of Roots in Soil
A new imaging tool from a team led by Carnegie’s José Dinneny allows researchers to study the dynamic growth of root systems in soil, and to uncover the molecular signaling pathways that control such growth.
UEA Research Could Help Build Computers From DNA
New research from the University of East Anglia could one day help build computers from DNA.
Viral Comparisons
ORNL team applies genomics expertise to analyze, map virus sequence database.
Preserving Fleeting Digital Information with DNA
A team has demonstrated that DNA they encapsulated can preserve information for at least 2,000 years, and they’re now working on a filing system to make it easier to navigate.
TGAC Leads Development to Diminish Threat to Vietnam’s Most Important Crop
Advanced bioinformatics capabilities for next-generation rice genomics in Vietnam to aid precision breeding.
Mass Extinctions Can Accelerate Evolution
A computer science team at The University of Texas at Austin has found that robots evolve more quickly and efficiently after a virtual mass extinction modeled after real-life disasters such as the one that killed off the dinosaurs.
Furthering Data Analysis of Next-gen Sequencing to Facilitate Research
Researchers at Cincinnati Children's Hospital Medical Center have developed a user-friendly, integrated platform for analyzing the transcriptomic and epigenomic "big data.
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
2,500+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
3,700+ scientific videos
Close
Premium CrownJOIN TECHNOLOGY NETWORKS PREMIUM FREE!