Marvin JS
chemical awarenesscomfortable, fast editing
Markush Editorviewer and builder for complex structures
Markush
Biomolecule editornovel technology stack
Biomolecules
Chemical file formats
.mol/.sdf, smiles, .skc, .cdxIUPAC, InChI, common names
.rdf, smarts, smirks, .rgffasta, sequence, helm, xhelm
Loading data
.xlsx
Migration from Accord for Excelwith JChem for Excel v6.3
Loading data
Loading data
Database
JChem for OfficeInstant JChem
Consultancy Services
Searchablejournals, reports, patents
Data mining
name,type,page #,context
leucine,common,Page 1,… X-ray coordinatesof the leucine transporter LeuT, a bacterial ...
IUPAC, common names, InChI, CAS, SMILES
Corporate IDOCR with error correctionOSR for structure images
Data mining
Loading data
Structures and metadata:● Marvin View● JChem for Excel● Instant JChem● Plexus
Data mining
Indexed document archive:● Document to Database● Instant JChem● JChem for Sharepoint
Patent Applications 特許出願 专利申请
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
Automatic or manual extraction?
Introducing ChemCurator
semi-automatic / computer assisted extraction tool
Efi Ákos Daniel Árpi Roland
MarvinJChem for
Office Naming ChemCuratorBiomolecule
toolkit
Acknowledgement