ICIC 2016: New Product Introduction ChemAxon

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THE CHEMAXON STORY

Transcript of ICIC 2016: New Product Introduction ChemAxon

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 displayChemical indexing & Structure searching

ELN providersData 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 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)

ChemLocatorFind chemistry in unstructured data

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

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!