Case Studies for Cheminformatics

Browse by Application Area

 

Desktop Cheminformatics

• A flexible and simple structure enumeration tool - Accord for Excel Combi Chem add-on
• Automating Low Throughput Biology Assay Data Loading in Accord for Excel Enterprise 6.1
• Read about how Biovitrum were able to leverage their investment in Accord for Excel by integrating it seamlessly into an ELN from Contur (the link will take you to an external website)
• Cheminformatics at Biovitrum
• Simple, Efficient Computational Tools to Facilitate Drug Discovery
• Smart Virtual Screening Protocol, Part III: Using Structure Based Drug Design to Enhance an In Silico Workflow
  

Enterprise Cheminformatics

• NEW! - Replacing Existing Cheminformatics Infrastructure at Syngenta
• NEW! - Strengthening Cheminformatics at Incyte - Migrating from RS³ to Accord Enterprise Informatics, a discussion with Dr. Ken Abremski, Senior Director, Applied Technology
• Drug Discovery Data Management at VASTox - An Interview with Dr. Graham Wynne, Associate Director of Chemistry
• Read about how Chroma Therapeutics use AEI and Pipeline Pilot together to provide a highly efficient corporate informatics solution for data storage, mining and reporting
• Discover how KaroBio were able to leverage their investment in Accord Enterprise Informatics infrastructure by seamlessly integrating it into an ELN from Contur (the link will take you to an external web site)
• Square Plugs and Round Holes - using Accord Enterprise Informatics in a Heterogeneous Software Environment
  

Chemical Database Mangement

• Cheminformatics and Pharmacophore Modeling—Together at Last. SciTegic Pipeline Pilot: Bridging Accord Database Explorer and Discovery Studio
• Delivering value through optimizing the development process workflow
  

Tools and Components

• Tackling Combinatorial Enumeration
• Computation of Ligand States in Preparation for Design Against Biological Targets

• Tips and Tricks Using the Accord Settings File
• Accelrys Chemistry XML: A Simple Language for Conversing between Diverse Applications
• Building ‘Mutalia', a Lead Discovery System, in 60 Days - Dr Eric le Roux, DiscNgine
• Indexing & Searching One of the World's Largest Compound Databases