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.

1. Creation and Acquisition

2. Marvin JS
chemical awareness
comfortable, fast editing

3. R-groups

4. Reactions

5. Query structures

6. Pasting and toolbars

7. Markush Editor
viewer and builder for complex structures
Markush

9. Biomolecule editor
novel technology stack
Biomolecules

10. Macromolecules

11. Chemical file formats
.mol/.sdf, smiles, .skc, .cdx
IUPAC, InChI, common names
.rdf, smarts, smirks, .rgf
fasta, sequence, helm, xhelm
Loading data

12. .xlsx
Migration from Accord for Excel
with JChem for Excel v6.3
Loading data

15. Loading data
Database
JChem for Office
Instant JChem
Consultancy Services

16. Searchable
journals, reports, patents
Data mining

17. name,
type,
page #,
context
leucine,
common,
Page 1,
… X-ray
coordinates
of the leucine
transporter LeuT,
a bacterial ...

18. IUPAC, common names,
InChI, CAS, SMILES
Corporate ID
OCR with error correction
OSR for structure images
Data mining

19. Loading data
Structures and metadata:
● Marvin View
● JChem for Excel
● Instant JChem
● Plexus

20. Data mining
Indexed document archive:
● Document to Database
● Instant JChem
● JChem for Sharepoint

22. Patent Applications 特許出願 专利申请

23. New language support
Chinese Name to Structure
• 2-（乙酰氧基）苯甲酸
• 阿司匹林
Japanese Name to Structure v6.3
• 2 - （アセチルオキシ）安息香酸
• アスピリン

24. Automatic or manual extraction?

25. Introducing ChemCurator
semi-automatic / computer assisted extraction tool

26. ChemCurator

27. Efi Ákos Daniel Árpi Roland
Marvin
JChem for
Office Naming ChemCurator
Biomolecule
toolkit
Acknowledgement