USUGM 2014 - Evolution of the ChemAxon product portfolio - Douglas Drake (ChemAxon): Intro
CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph...
Transcript of CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph...
![Page 1: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/1.jpg)
Budapest Annual Meeting
2016
CHEMICAL NAMING
TOOLS
Daniel Bonniot
![Page 2: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/2.jpg)
The naming family● Convert structures to IUPAC and common names (Structure to Name)
● Convert names to structures (Name to Structure)
● Extract structures from documents (Document to Structure)
● Display documents in web browser (Document annotator)
● Index and search document collections (Plexus Mining)
Agenda
1. Recent improvements (focus on s2n)
2. Architecture for custom document processing
3. Integration story by Questel
Annual Meeting 2016
![Page 3: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/3.jpg)
Structure to NameRing assemblies
4'-amino-[1,1'-biphenyl]-3-ol
General for all types of rings
(binaphthalene, bicyclohexane,
bifuran, …)
Saturated rings in fusion
hexahydro-1H-thieno[3,4-d]imidazolidin-2-one
hexahydro-1H-thieno[3,4-d]imidazol-2-one
Astex Therapeutics:
“It has reduced the number of roundtrip failures on
our corporate database by about half!”
Annual Meeting 2016
![Page 4: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/4.jpg)
Document Annotator
Annual Meeting 2016
![Page 5: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/5.jpg)
Document AnnotatorInput: 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)
Annual Meeting 2016
![Page 6: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/6.jpg)
Detect and extract chemical structures from a document
API to process a document, a single sentence or short paragraph
Tens of options to control behaviour:
• include chemical elements?
• include fragments?
• …
Document to Structure
Annual Meeting 2016
![Page 7: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/7.jpg)
Chemical indexing and
searching: architecture
Annual Meeting 2016
![Page 8: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/8.jpg)
New Plexus Mining demo sitehttp://ps-mining-demo.chemaxon.com
http://ps-demo.chemaxon.com
● Three document sets:
○ XML Patents (US and Asian)
○ PDF Journal articles
○ Safety Data Sheets (MSDS)
● Try it at the demo station!
○ Possibility for demos and evaluations on customer sets
Q1
Annual Meeting 2016
![Page 9: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/9.jpg)
Covering
Intellectual Property
Needs Across The
Innovation Lifecycle
![Page 10: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/10.jpg)
1970
France Telecom
2001
Spin-Off
2007
1st LBO
2015
2nd LBO
30M€170
![Page 11: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/11.jpg)
eLearning
Software
Consulting
Find
Technology
Mitigate
Risks
Sustain
Advantage
Invention Protection Asset
WHATHOW
Research &
development
Product
development
Market
development
WHEN
![Page 12: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/12.jpg)
Turn insight
into action
Search & AnalyzeIntellectual Property
Business Intelligence
eLearning
Software
Consulting
Software
Steer & ControlIntellectual Asset
Management
![Page 13: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/13.jpg)
Turn insight
into action
Solid experience in Chemistry
eLearning
Software
Consulting
SoftwareMerged Markush Service (MMS)
Sources: WPIM & MPharm
Producers: Derwent & French PTO
Based on the DARC system
![Page 14: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/14.jpg)
Turn insight
into action
Why Questel partners with Chemaxon
eLearning
Software
Consulting
SoftwarePerformant & flexible solutions
Complementarity (data, solutions, people)
Expertise in chemistry, patents & analysis
Reputation
![Page 15: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/15.jpg)
Turn insight
into action
Questel – Chemaxon Patrnership
eLearning
Software
Consulting
SoftwareChemical Structure Display
Chemical Indexing
Structure Searching
![Page 16: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/16.jpg)
2001
Spin-Off
2007
1st LBO
2015
2nd LBO
Questel-ChemAxon
Partnership Chemical Structure Display
Available now
INTELLIXIR
ORBIT
INTELLIXIR
![Page 17: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/17.jpg)
2001
Spin-Off
2007
1st LBO
2015
2nd LBO
Questel-ChemAxon
Partnership Chemical Indexing & Structure Searching
Features
- Chemical Structures detected in patents, scientific pub…
- Records categorization based on Chemical Structures &
Sub-Structures
Key benefits
- Process all sources including internal documents
- Produce landscapes based on Chemical Structures &
Sub-Structures
Q3 2016
INTELLIXIR
ORBIT
INTELLIXIR
![Page 18: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/18.jpg)
2001
Spin-Off
2007
1st LBO
2015
2nd LBO
Questel-ChemAxon
Partnership Chemical Indexing & Structure Searching
INTELLIXIR
ORBIT
INTELLIXIR
![Page 19: CHEMICAL NAMING TOOLS - ChemAxon · API to process a document, a single sentence or short paragraph Tens of options to control behaviour: ... Chemical Indexing Structure Searching.](https://reader033.fdocuments.in/reader033/viewer/2022060404/5f0ee24d7e708231d44168a9/html5/thumbnails/19.jpg)
2001
Spin-Off
2007
1st LBO
2015
2nd LBO
Questel-ChemAxon
Partnership Chemical Indexing & Structure Searching
Features
- Chemical Structures detected in Patents from 100+ PTO
- Normalized chemical names included in patents & used
in similarity search
Key benefits
- Detect chemical products among 90 million patents
- Search efficiently thanks to chemical name normalization
- Fast track updating
Q1-Q2 2017
INTELLIXIR
ORBITORBIT