Reporting and Sharing Evolution of ChemAxon Products
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ChemAxon has been developing chemical data management tools, toolkits and applications for 16 years, primarily to the life science industry. Over this time, changes in the industry and technology have led change in our technology and how we work with clients. This talk outlines the ChemAxon functionality, breaking the topic down into processes scientists care about (creation, storage, analysis & reporting), highlights developments and our response to the opportunities in this changing environment.
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Reporting and Sharing Evolution of ChemAxon Products
- 1. Reporting and Sharing Evolution of the ChemAxon product portfolio Aurora D. Costache, PhD Applications Scientist
- 2. Creation Storage Analysis Reporting Marvin, Marvin JS, Applet Markush Reactor Name > Structure Compound Registration Instant JChem Structure Checker & Standardiser JChemBase Document > Structure Discovery Tools IJC Viz Metabolizer Compliance Checker Instant JChem JChem for Office JChem for Sharepoint Plexus Suite Plexus Suite BioReg Toolkit BioReg Toolkit JChem Cartridge Plexus Suite JChem for Office Plexus Suite Marvin, Marvin JS, Applet
- 3. Report? Share? What? Reports Scientific publications Patents Knowledge sharing Discussions Collaboration Presentations Global data management
- 4. Report? Share? What? – and How? Reports Scientific publications Patents Knowledge sharing Discussions Collaboration Presentations Global data management Marvin Suite JChem for Office JChem for Sharepoint Instant JChem Naming Plexus Suite
- 5. Report? Share? What? – and How? Marvin Suite JChem for Office Instant JChem Naming Reports Scientific publications Patents Knowledge sharing Discussions Collaboration Presentations Global data management JChem for Sharepoint Plexus Suite
- 6. Report? Share? What? – and How? Marvin Suite JChem for Office Instant JChem Naming Reports Scientific publications Patents Knowledge sharing Discussions Collaboration Presentations Global data management JChem for Sharepoint Plexus Suite
- 7. Report? Share? What? – and How? Marvin Suite JChem for Office Instant JChem Naming Reports Scientific publications Patents Knowledge sharing Discussions Collaboration Presentations Global data management JChem for Sharepoint Plexus Suite
- 8. Report? Share? What? – and How? Marvin Suite JChem for Office Instant JChem Naming Reports Scientific publications Patents Knowledge sharing Discussions Collaboration Presentations Global data management JChem for Sharepoint Plexus Suite
- 9. Report? Share? What? – and How? Marvin Suite JChem for Office Instant JChem Naming Reports Scientific publications Patents Knowledge sharing Discussions Collaboration Presentations Global data management JChem for Sharepoint Plexus Suite
- 10. Report? Share? What? – and How? JChem for Office Instant JChem Compound Registration Marvin Suite Naming Other database or file server Naming Marvin Suite JChem for Sharepoint Plexus Suite
- 11. Simple molecule reporting MarvinSketch – abbreviated groups - Novel abbreviated group labels are now supported
- 12. Single molecule reporting Marvin Sketch - to be released -automatic display of M/P flags in case of atropisomers
- 13. Reporting from a Chemical Database… Instant JChem
- 14. …made easy Instant JChem – new features Rich text and HTML support Palette of widgets Activities table Structures table Enhanced charting
- 15. …and more usable Instant JChem – new features Export: • Profiles • Formatting in excel • Data selection in form Filtering and sorting in project explorer: User friendly names for lists and queries: Sorting and querying by calculated fields (in 14.9.x)
- 16. • Sorting and querying calculated fields • Ability to query time periods (e.g. last week assay) • Ability to create calculated fields for non-admin users • New tool for admins to easily manage test/production environments • Label widgets have hyperlinks • Export to excel – keeps formatting from IJC to XLSL (fonts, alignment, column names, images in binary fields, etc) …even more Instant JChem – new features
- 17. Reporting in MS Office JChem for Office …… Import by IDs Import search results SAR Analysis
- 18. Reporting and Presenting JChem for Office Edit characterize andCopy/Paste one click buttons
- 19. Share with non JChem for Office users Save to Share capability
- 20. Report from IJC Import data into office documents even without molecular structures
- 21. Convertor tool ISIS, Symyx, ChemDraw, Accord Rapid conversion of large files improved significantly
- 22. Marvin, Naming, JChem for Office Publishing Name jpg, png, ppm, svg, bmp,tiff, eps 2‐methylcyclohexa‐2,5‐diene‐1,4‐dione 2‐methyl‐1,4‐benzoquinone Office EMF image support – chemically editable images
- 23. SDF, MRV, etc. Patent Documents Marvin, Naming Patent document SDF, MRV, etc.R-Group Decomposition Structure to Name Markush Structures IUPAC Names
- 24. Sharing in large organizations Instant JChem JChem Cartridge Database Database Share results via URL Share Forms IJC Server Plexus Suite
- 26. Collaboration JChem for Sharepoint Track changes List Discussion BoardBlog Wiki Edit Capture Search Live collaboration
- 27. Knowledge Sharing JChem for Sharepoint Track changes List Discussion BoardBlog Wiki Edit Capture Search Live collaboration
- 28. JChem for Sharepoint Corporate Chemistry Database File Share Vendor database Other database Reports’ repository + Metadata Knowledge Sharing II. JChem for Sharepoint (Search) Chemically aware search
- 29. Acknowledgments Petr Hamernik Instant JChem József Dávid JChem for Sharepoint Ákos Papp JChem for Office Daniel Bonniot Naming Eufrozina Hoffmann Marvin Suite Miklos Szabo Plexus Suite