ChemAxon@IDBS · 2017. 6. 27. · Parallel Synthesis Console s Apply Stoic. Defaults Reaction Views...
Transcript of ChemAxon@IDBS · 2017. 6. 27. · Parallel Synthesis Console s Apply Stoic. Defaults Reaction Views...
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ChemAxon@IDBS
Dr Jonathan Davies
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Slide 2 © IDBS 2013
Chemistry@IDBS
We have been providing chemistry solutions for our
customers for more than 10 years using IDBS
technology coupled with that from third parties.
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Slide 3 © IDBS 2013
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Slide 4 © IDBS 2013
E-WorkBook@IDBS
Synthesis workflow ◦ Single step synthesis
◦ Multi-step synthesis
◦ Parallel synthesis
Structure searching
Chem. spreadsheet ◦ Chem. calculations
◦ SD files
Chemistry data management for ELNs
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Slide 5 © IDBS 2013
ChemAxon@E-WorkBook
Marvin Integration
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Slide 6 © IDBS 2013
ChemAxon@E-WorkBook
Calculator Plug-in Integration
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Slide 7 © IDBS 2013
ChemAxon@E-WorkBook
Reactor Integration
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Slide 8 © IDBS 2013
ChemAxon@E-WorkBook
We are looking at more:
ChemAxon Cartridge integration anyone?
Markush and Metabolism pathways?
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Slide 9 © IDBS 2013
InforSense@IDBS
Workflow Engine with
Enterprise web portal
publication.
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Slide 10 © IDBS 2013
ChemAxon@InforSense
Workflow
Markush enumeration
Chemistry input/output
Canonical smiles
InChI
Reaction enumeration
Structure searching
R group decomposition
Maximum Common
Substructure
Chem Props.
LogP etc
Topology rings etc
Fragmentation
RD smiles
SD
mol
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Slide 11 © IDBS 2013
Thank you
Come and talk to us