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THE CHEMAXON STORY
ChemAxon around the Globe
Presence in: 35 countries
No of clients: more than 300
No of users: over 300 000
Distributors in: Japan, India,
China, Korea, Singapore
Staff: 124
PLATFORM TOOLKIT BASED
Our presence in the pharma industry
PLATFORM TOOLKIT BASED
Our presence in the pharma industry
PLATFORM TOOLKIT BASED
Our presence in the pharma industry
Extensive 3rd party integrations for full solutionpartnership
Partner collaborations
Chemical structure display
Chemical indexing & Structure searching
ELN providers
Data visualization
Inventory
What’s HOT?
In ChemAxon Portfolio
• Bi-directional conversion
• Includes Chinese &
Japanese names
• User customizable
dictionary (ID’s)
• IUPAC, systematic,
common, commercial
names
• CAS name & reg. no.
Naming technology
A reliable chemical name conversion and mining engine
+ 163 names
Introduction Document Annotator
Chemistry extraction and highlighting in documents
• Input: HTML, XML, Text or PDF
document
• Output: HTML, with chemical
structures highlighted
• Usage: Java and .NET API for
integration in custom applications
(also used in ChemCurator)
ChemLocator
Find chemistry in unstructured data
ChemLocator
Ontology search
• Chemically intelligent ontology supported
chemical and free text search.
• Generate compound list from executing SPARQL
query.
Mycophenolic acid
...Which compounds in my document repository have
the same drug indications as fluorometholone, and are
Lipinski compounds?
propylparaben
Eseroline
Condition: paracetamol
SELECT DISTINCT STR(?label) WHERE { {
SELECT ?label
WHERE
{
?query rdfs:label ?queryText .
FILTER
(?queryText="fluorometholone"^^xsd:string).
?query ?refp ?superclass .
FILTER ( ?refp IN ( owl:equivalentClass,
rdfs:subClassOf ) ) .
?subclass rdfs:subClassOf ?superclass .
?subclass rdfs:label ?label.}}
}
• Documents and extracted data
side-by-side
• Structure and Markush extraction
• English, Chinese and Japanese
name to structure
• XML, PDF, HTML input
• OSR support
Computer-assisted chemical data extraction
ChemCurator
BIOLOGY
Sketching, Storing, Representing, Sharing
BioEddie
- Intuitive structure/
sequence editing
- Supports non-
structure components
(e.g. nanoparticles)
- Native HELM, MOL
and sequence I/O
- Multi-level annotations
- Modular JS application
- Easy to integrate
Biological entities in ChemAxon‘s platform
Query types:
- Sequence
- Chemistry
- Features
- Annotations
Biomolecule Toolkit
Java API
REST-ful WS
- Standardize
- Deduplicate
- Convert
- Annotate
- Properties
Import
THANK YOU!

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ICIC 2016: New Product Introduction ChemAxon

  • 2. ChemAxon around the Globe Presence in: 35 countries No of clients: more than 300 No of users: over 300 000 Distributors in: Japan, India, China, Korea, Singapore Staff: 124
  • 3. PLATFORM TOOLKIT BASED Our presence in the pharma industry
  • 4. PLATFORM TOOLKIT BASED Our presence in the pharma industry
  • 5. PLATFORM TOOLKIT BASED Our presence in the pharma industry
  • 6. Extensive 3rd party integrations for full solutionpartnership Partner collaborations Chemical structure display Chemical indexing & Structure searching ELN providers Data visualization Inventory
  • 8. • Bi-directional conversion • Includes Chinese & Japanese names • User customizable dictionary (ID’s) • IUPAC, systematic, common, commercial names • CAS name & reg. no. Naming technology A reliable chemical name conversion and mining engine + 163 names
  • 9. Introduction Document Annotator Chemistry extraction and highlighting in documents • Input: HTML, XML, Text or PDF document • Output: HTML, with chemical structures highlighted • Usage: Java and .NET API for integration in custom applications (also used in ChemCurator)
  • 10. ChemLocator Find chemistry in unstructured data
  • 11. ChemLocator Ontology search • Chemically intelligent ontology supported chemical and free text search. • Generate compound list from executing SPARQL query. Mycophenolic acid ...Which compounds in my document repository have the same drug indications as fluorometholone, and are Lipinski compounds? propylparaben Eseroline Condition: paracetamol SELECT DISTINCT STR(?label) WHERE { { SELECT ?label WHERE { ?query rdfs:label ?queryText . FILTER (?queryText="fluorometholone"^^xsd:string). ?query ?refp ?superclass . FILTER ( ?refp IN ( owl:equivalentClass, rdfs:subClassOf ) ) . ?subclass rdfs:subClassOf ?superclass . ?subclass rdfs:label ?label.}} }
  • 12. • Documents and extracted data side-by-side • Structure and Markush extraction • English, Chinese and Japanese name to structure • XML, PDF, HTML input • OSR support Computer-assisted chemical data extraction ChemCurator
  • 14. BioEddie - Intuitive structure/ sequence editing - Supports non- structure components (e.g. nanoparticles) - Native HELM, MOL and sequence I/O - Multi-level annotations - Modular JS application - Easy to integrate
  • 15. Biological entities in ChemAxon‘s platform Query types: - Sequence - Chemistry - Features - Annotations Biomolecule Toolkit Java API REST-ful WS - Standardize - Deduplicate - Convert - Annotate - Properties Import