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JChem for Office
Making chemistry happen in Excel, Word, PowerPoint & Outlook
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Summary
JChem
for Office integrates chemical structure handling, data analyzing,
visualizing and reporting capabilities within the Microsoft Office
environment.
Structures can be edited and also copy/pasted
throughout Excel spreadsheets, Word documents, PowerPoint slides and
even Outlook e-mails. The JChem add-on equips your Excel with robust
chemistry handling. It provides ultra fast loading or scrolling
throughout virtually thousands of structure rows. Structure based
calculations, R-group decomposition, library enumeration and SAR-table
generation belong to the more advanced functionalities that JChem for
Office can offer.
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Features
Import and export content
JChem for Office can connect to different database engines (Oracle,
MySQL, MSSQL and PostgreSQL). When importing a database, you have the
option to pre-filter the data; you can include internal compound IDs as
well. If you have a list of compound IDs only, without actual
structures, JChem for Office can retrieve the IDs for you from your
database. JChem for Office can handle all standard chemical file
formats (sdf, rdf, IUPAC name, smiles, mrv) at import and export.
Importing and managing thousands of rows with chemical and non-chemical
data won't affect its robust performance.
You can connect JChem for Office to our Instant JChem Enterprise
software; and receive selections and projects via a bridge. By using
our Document to Structure tool, you can additionally extract chemical
names and structures from documents (pdf, txt, html, xml, MS Office,
OpenOffice ODT etc.) as live structures into JChem for Office.
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Features
Extending Excel features for chemistry
Our structure-based calculations are integrated into MS Excel's custom
functions. One of our add-on products, the Calculator Plugins makes it
possible to populate your cells with physico-chemical properties,
molecular descriptors or topology analysis results. This integration
means that dependent colums are automatically updated if a new row is
added or a chemical structure is edited. Chemical Terms, a language for
combining and extending Calculator Plugins is also natively integrated.
You can easily set up complex structure based arguments.
Structures can be filtered from the active worksheet available
additionally. You can search for structures by query structure and
specified search options. Similarity, substructure, full structure,
superstructure and duplicate searches are directly available in JChem
for Excel. To narrow down the hit list, it's possible to apply further
structure filtering. Chemical data-sets can be easily divided and rows
can be selected or exported into standard chemical files that can be
further processed by other applications.
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Features
Structure-Activity Relationship table generation
There are also KNIME nodes and Pipeline Pilot components to handle
JChem for Excel workbooks in batch mode. Exporting data from these
applications can be further analysed also by R-group decomposition to
generate either Markush tables providing input for virtual library
generators; or Structure-Activity Relationship (SAR) tables that are
often used during the drug development phases. The resulting R-group
table can further be characterized using the JChem for Excel functions
together with the Excel functions; frequently occurring substituents
and their contributions to the biological activity can be statistically
evaluated. The results can be presented in JChem for Word or Powerpoint
by simply copying the SAR-table together with conditional formatting
and live structures.
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Features
Virtual library generation
JChem for Excel uses Chemaxon’s Reactor, synthesis engine for
virtual library generation. The Reactor engine is available via a
simple JChem for Excel function in a single Excel sheet. The general
reaction and the reactants are given in the excel sheet and reagents
can be arranged in a sequential or combinatorial mode. Products or the
whole reaction can be visualized. Chemaxon’s empirical smart
rules are available in JChem for Excel, predicting the reactivity and
selectivity and can be specified by the user through a generic
reaction. For more about generating generic reactions see reaction
rules. Chemaxon’s enumeration technology allows applying
empirical smart rules in JChem for Excel, predicting the reactivity and
selectivity.
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Features
Reporting Capabilities with JChem for Office
Direct import to Word, PowerPoint and Outlook is possible, or if you
would like to create a report for a subset of compound IDs by
connecting to a previously defined database connection in Excel and
copy-paste the data to a Word or Powerpoint document. Imported data can
be pre-formatted in Excel eg. by creating an SAR-table or a chart and
then copy them to other Office applications. The report can be created
in two different types of layouts.
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| JChem for Office Lite |
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Summary
Copy, paste and edit structures from and to different chemical editors
JChem for Office Lite is Chemaxon's newest chemoinformatics solution in
Microsoft Office products. It is a lightweight, easy-to-use add-in for
Word, PowerPoint, and Outlook. Lite is ideal for users who only want to
copy and paste single structures from chemical editors to Office
applications. The pasted structures then can be edited as seamlessly as
in JChem for Office.
Features:
- Copying and pasting structures from and to all chemical editors that are currently supported in JChem for Office.
- Editing structures with a double-click in the chosen chemical editor.
- Automatic renderer detection that supports Marvin Sketch, Marvin and ChemDraw.
- Changing renderer and editor through context menu items.
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Other Products: |
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