Chemistry Services is a powerful extendable framework capable of integrating your preferred chemistry cartridges, renderers, and editors into the DecisionSite analysis environment.
MDL® Support
DecisionSite for Lead Discovery supports MDL® ISIS™ chemistry technology including ISIS/Host™, ISIS/Base™, ISIS/Draw™, and MDL CHIME Pro™. DecisionSite also supports the new Isentris™ line of products, specifically MDL Draw™ and MDL Direct™. The flexibility of the new Chemistry Framework means that an organization on a migration path will be able to easily support many different user environments on the same analysis platform. For example, imagine a fictional scenario at a DSLD pharmaceutical customer that is gradually upgrading their MDL® technology. At this company, the high throughput screening group can continue to retrieve structures through their legacy ISIS/Host™ configurations and guided workflows that they have in place. At the same time, the medicinal chemists can take advantage of the newly acquired Isentris™ MDL Direct™ cartridge system for their advanced structure searching and retrieval needs. Even better, they can edit their structures for searches either using MDL Draw™, or continue to use the older ISIS/Draw™ technology if they happen to prefer it out of familiarity. DecisionSite for Lead Discovery can support these mixtures of MDL® configurations to match the user needs and preferences on each desktop.
Custom Chemistry Services
Development utilizing Chemistry Services to support non-MDL® technologies can be commissioned from Spotfire Professional Services or taken on as a development project by customers with DecisionSite Developer, who will benefit from thorough framework documentation and code examples.
Access Data
Cartridge based access to chemical databases offers intelligent ways of accessing data such as substructure searching. DSLD supports integration between Information Services (IS) and your cartridge based data access system so that desktop DSLD users can easily leverage the different search and retrieval mechanisms supported by that cartridge.
Because Chemistry Services supports integration with the rendering tools on your desktop, importing and viewing structures directly from custom database or local file based formats such as SMILES strings, SD files, or custom BLOBs can be made to work within the DecisionSite environment seamlessly. Imported data columns representing structures can be configured for rendering within the Table visualization, the Structure Visualizer tool, or even another developed display interface.
Visualize Structures
DSLD provides structure visualization within the Structure Visualizer tool and also within the Table visualization. Chemistry Services allows you to decide which technology should do the work of displaying the chemical data formats you have in your analysis environment, such as BLOBs, SMILES strings, or proprietary formats..
Edit Structures
DSLD supports integration with your preferred chemistry editing software. When chemical structures need to be edited or altered for structure-based searching, chemists want to use the tools they are most comfortable with, and the framework allows them to integrate the editing tool they prefer regardless of the cartridge or rendering technologies being used.
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