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: Tuesday, November 20, 2012
Last Updated: Tuesday, November 20, 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 2,400+ 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
New Tool Uses 'Drug Spillover' to Match Cancer Patients with Treatments
Researchers have developed a new tool that improves the ability to match drugs to disease: the Kinase Addiction Ranker (KAR) predicts what genetics are truly driving the cancer in any population of cells and chooses the best "kinase inhibitor" to silence these dangerous genetic causes of disease.
Computer Model Could Explain how Simple Molecules Took First Step Toward Life
Two Brookhaven researchers developed theoretical model to explain the origins of self-replicating molecules.
The Mystery of the Instant Noodle Chromosomes
Researchers from the Lomonosov Moscow State University evaluated the benefits of placing the DNA on the principle of spaghetti.
Web App Helps Researchers Explore Cancer Genetics
Brown University computer scientists have developed a new interactive tool to help researchers and clinicians explore the genetic underpinnings of cancer.
An Innovative Algorithm to Decipher How Drugs Work Inside the Body
Researchers at Columbia University Medical Center (CUMC) have developed a computer algorithm that is helping scientists see how drugs produce pharmacological effects inside the body.
How do Networks Shape the Spread of Disease and Gossip?
A team of mathematicians from Oxford University, University of North Carolina at Chapel Hill, and Rutgers University used a set of mathematical rules to encode how a contagion spreads, and then studied the outcomes of these rules.
AncestryDNA and Calico to Research the Genetics of Human Lifespan
Collaboration will analyze family history and genetics to facilitate development of cutting-edge therapeutics.
Informatics Tool Helps Scientists Prioritize Protein Modification Research
Researchers have developed a new informatics technology that analyzes existing data repositories of protein modifications and 3D protein structures to help scientists identify and target research on "hotspots" most likely to be important for biological function.
Software Differences can Skew Medical Scan Results
Differences in software can significantly skew results of medical scans commonly used in clinical care and research.
AMRI, PerkinElmer to Collaborate on Drug Discovery
Albany Molecular Research (AMRI) and PerkinElmer are collaborating to provide drug discovery infrastructure and services in AMRI's newly launched drug discovery center.
Scroll Up
Scroll Down
SELECTBIO

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
2,400+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
3,700+ scientific videos
Close
Premium CrownJOIN TECHNOLOGY NETWORKS PREMIUM FREE!