ICIC 2016: New Product Introduction ChemAxon
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Transcript of ICIC 2016: New Product Introduction ChemAxon
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
Extensive 3rd party integrations for full solutionpartnership
Partner collaborations
Chemical structure displayChemical indexing & Structure searching
ELN providersData visualization
Inventory
• Bi-directional conversion
• Includes Chinese &
Japanese names
• User customizable
dictionary (ID’s)
• IUPAC, systematic,
common, commercial
names
• CAS name & reg. no.
Naming technologyA reliable chemical name conversion and mining engine
+ 163 names
Introduction Document AnnotatorChemistry 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)
ChemLocatorOntology 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 extractionChemCurator
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