EUGM 2013 - Andras Stracz (ChemAxon) - ChemAxon Plexus: A desktop application using web technology
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Chemicalize.org is a content discovery utility that enables users to explore chemical structure connectivity across documents and databases, with a user base of 18k and 423,000 webpages. Its mobile application is growing, offering a user-friendly interface and modular features for library design and chemical structure management. The platform includes extensive search options and integration with tools like Marvin for JavaScript, optimizing workflow and enhancing user experience.
EUGM 2013 - Andras Stracz (ChemAxon) - ChemAxon Plexus: A desktop application using web technology
- 3. chemicalize.org - Content Chem Search database Webpage Viewer usage 18k users 423.000 webpages 642.000 names 378.000 structures
- 4. chemicalize.org - Content quality in PubChem: 90k novel structures http://chemicalize.org/url/pubchem 378.000 structures 40+ citations since 2012 http://goo.gl/FQS1L
- 5. chemicalize.org - Utility article in JChemInf by Christopher Southan and Andras Stracz, DOI:10.1186/1758-2946-5-20 ... demonstrates the utility of chemicalize.org for the exploration of chemical structure connectivity between documents and databases ... ... flexibility to extract text from any internal, external or Web source. It synergizes with other open tools ...
- 6. chemicalize.org - UI review in JCIM by Matt Swain, Univ. Cambridge DOI: 10.1021/ci300046g: ... the intuitive interface lends itself well to learning by trying ... ... the simplicity of this interface ... is quite refreshing ... it is common to be bombarded by long forms with dozens of options ...
- 7. chemicalize.org - mobile ● mobile traffic is growing ● keep experimenting ● apps: ○ native feel ○ performance ○ unlock new features ● building on the existing mobile site
- 8. chemicalize.org - mobile apps ● grab the app in the Play Store ● coming soon to iTunes
- 10. Plexus Versatile ● Thin client, web service base ● Deployable in all scenarios ○ PC/Mac ○ internal network ○ external partners ○ cloud
- 11. Plexus Versatile User friendly ● design: consistent web app look & feel ● high visibility of important actions ● layout: clear and structured, fluid ● UX: fast, streamlined, intuitive solutions ● Marvin for JavaScript fits perfectly
- 12. Plexus Versatile Workflow oriented discovery tool User friendly ● Focus: Library design ● Modular
- 13. Data table ● table view for your data, expected features ● import: ○ any chemical structure file format ○ office documents ● export: ○ any chemical structure file format ○ JChem for Excel workbook ● fast, looks great ● easily add phys-chem properties
- 14. Enumeration ● new editor interface ○ key issue: 1 canvas is not enough ○ edit parts of the Markush structure in separate editors ○ structure issues can be isolated to pieces ○ works well with small and large libraries ● interactive preview of enumerated structures
- 15. Searching ● full coverage of JChem search options ● default Standardizer config included ● easy access to virtual screening ○ structural similarity ○ pharmacophore similarity ○ close analog searching and scaffold hopping ● includes Marvin for JavaScript, our new lightweight editor ● UI reworked to split basic and advanced options
- 16. Details view ● form view ● Calculator Plugins ○ structures with incremental result values ○ property lists ○ charts
- 17. Current coverage ● Document to Structure ● JChem Base ● Standardizer ● Markush Enumeration ● Calculator Plugins ● Screen ● Marvin Applet, Marvin for JavaScript
- 18. Roadmap ● project and user management ● virtual synthesis with Reactor ● clustering with JKlustor ● data visualization
- 19. Thanks!