Sponsor Announcements

ACS ChemWorx

ACS ChemWorx is a free, total research management and storage system that combines reference discovery and management, professional networking, group and task management and manuscript preparation in a single interface, accessible from anywhere.

  • Import, manage and search your existing reference library
  • Store, markup and highlight PDF documents
  • Share your reference library and files with collaborators
  • Manage research activities via groups, projects, tasks, calendars, and events
  • Cite references without leaving MS Word or LaTeX
  • Track citations to any of your published articles

It's fast, easy and FREE for groups and individuals. Login at www.acschemworx.com

 

 

Bio-Rad KnowItAll U trial

Bio-Rad

 Access Over 1.4 Million Spectra Today at Your University

It is with great pleasure that Bio-Rad Laboratories, a long-time sponsor of CINF, invites your school to participate in a free 30-day evaluation trial of KnowItAll U - the world’s largest collection of spectral data (NMR, IR, Raman, MS, UV-Vis). This resource has been used successfully in the teaching curriculum, academic research in chemistry, biology, and other applied science disciplines, as well as in a library setting. For more information, please visit http://www.knowitallu.com, view a recording of our “Introduction to KnowItAll U” webinar (presented by Farrel Borden) at http://www.knowitall.com/webex_archives, or contact Farrel Borden at 267-322-6938, or register online at http://www.knowitallu.com/trial. It’s that easy!

Obtibrium StarDrop new capabilities

New bioisosteric transformations and predictive toxicity capabilities in 

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Optibrium’s StarDrop software platform guides decisions in drug discovery to quickly identify chemistries with a high chance of success. StarDrop’s unique probabilistic scoring approach to multi-parameter optimization intuitively integrates predicted and experimental data to guide the design and selection of compounds that balance the many requirements for a high quality lead or candidate drug.

The release of StarDrop version 5.4 will introduce new modules to the suite of plug-ins that extend StarDrop’s core capabilities. The addition of the new Derek Nexus module, developed in collaboration with Lhasa Limited, will provide access to the world-leading technology for knowledge-based prediction of key toxicities in over 40 endpoints including mutagenicity, hepatotoxicity, and cardiotoxicity.

The capabilities of StarDrop’s existing Nova module will also be expanded by the addition of the BIOSTER database from Digital Chemistry to simulate the search for high-quality compounds by generating relevant compound ideas prioritized against a project’s property requirements. The BIOSTER module contains a unique compilation of over 20,000 precedented bioisosteric transformations, manually curated from the literature. The combination of Nova and BIOSTER will enable the application of this comprehensive database to generate novel structures with a high likelihood of biological activity and synthetic accessibility.

The combination of these technologies with StarDrop will enable chemists to intuitively design high-quality compounds, balancing the reduction of toxicity risk with all the other requirements for a successful, safe, and efficacious drug in hit-to-lead and lead optimization.

If you would like to know more, please download a brochure from http://www.optibrium.com/stardrop/brochure.php, visit www.optibrium.com or email info@optibrium.com to arrange a demonstration or free evaluation.

PerkinElmer Lead Discovery for TIBCO Spotfire

PerkinElmer

Introduces New Chemical Intelligence Capabilities for Accelerating the Lead Discovery Process

Lead Discovery for TIBCO Spotfire Software Provides Extensive Chemical Structure Searching & Visualization for Finding Promising Compounds Faster

PerkinElmer, Inc., a global leader focused on improving the health and safety of people and the environment, is introducing the newest version of Lead Discovery for the TIBCO Spotfire software platform. PerkinElmer's Lead Discovery 5.1 enhances the TIBCO Spotfire software data analysis capabilities with new functionality built specifically with chemists in mind. Based on PerkinElmer's industry-leading ChemDraw drawing tool, the chemical intelligence in Lead Discovery provides scientists using TIBCO Spotfire software with extensive chemical structure searching and visualization. Now scientists are able to dynamically filter their experimental data sets by chemical structure and pinpoint promising structural features and scaffolds in the output from their medicinal and combinatorial chemistry programs. The new technology enables users to mine their chemical databases to identify more compounds that have similar chemical structures, broadening their potential pool of candidates based on known properties and shortening their time to discovery of a viable candidate or lead.

In addition to dynamic, structure-based filtering, another key functionality of Lead Discovery 5.1 is that it automatically analyzes and displays R-groups (group side chains in chemical structure diagrams) or substituent variations on similar chemical scaffolds. These chemical variations have significant impact on dose response and side effects as they affect how the molecule interacts with a target. Using the new informatics tool, scientists can quickly isolate the variables to identify and optimize promising compound candidates.

For more information, please see a press release (May 8, 2013).