JChem for SharePoint

Import and export chemical structures into SharePoint

ChemAxon Import and Export to File Web Part allows the user to import and export standard chemical file formats such as MOL, SMILES and MRV from or into a Custom List. Moreover, images, biological data, text fields and chemical names can also be imported and exported using the same Web Part. Users can import several thousands of chemical structures into Custom Lists, which are immediately available for review and analysis with other documents.

Sketch your chemical structures in SharePoint using Marvin

Both Marvin Applet and ActiveX OLE versions are integrated into the SharePoint layout so you can intuitively add, edit, copy and paste chemical structures into a Custom List, or enrich Blogs, Discussion boards and Wiki’s with chemical structures.

Store and search chemical structures in SharePoint Custom Lists

The Structure Filter Web Part allows users to apply chemical structure filters on Custom Lists, even with several thousands of rows. Chemical filtering uses ChemAxon’s enterprise JChem technology within SharePoint letting users define chemical filters. Query structures can be defined and edited by Marvin and even complex query definitions such as similarity, substructure, superstructure and full structure searches can be applied with the Structure Filter Web Part.

All of ChemAxon’s advanced chemistry search options are available, such as stereochemical features and tautomer consideration.

Calculate properties in SharePoint Custom List

The ChemAxon Calculated Field lets users calculate or predict physico-chemical, molecular and other related properties for Custom Lists. The implementation uses Chemaxon’s Chemical Terms, a language for adding chemical intelligence to cheminformatics applications by defining and combining structure based calculations. With Chemical Terms working in the background, users can edit structures within a List which will automatically update all of the related structure calculations so your data is always true. When adding single or multiple structures to existing lists, calculated properties are automatically populated, making rich data immediately available. Chemical Terms provide chemistry and mathematical functions including property predictions (pKa, logP, logD, etc), functional group recognition, conformer selection, ring and distance based topological functions and other electronic, stearic and structural functions.

Chemical naming in SharePoint

ChemAxon’s Naming engine is also implemented letting users generate IUPAC or traditional names or conversely generate structures from IUPAC or traditional names and CAS numbers.

Filtering and Sorting

Text or numbers generated by ChemAxon Calculated Fields can be sorted and filtered within a new custom view or at runtime using SharePoint’s built-in capabilities. The results can be available to visualization Web Parts for report building.

Index and search for documents containing chemical (name) information

ChemAxon’s Document to Structure will parse HTML, text or PDF files, recognize and convert IUPAC or traditional names, InChI keys and SMILES strings into chemical structures. Document to Structure not only identifies but retrieves the position of the chemical structures in the file, letting you link directly to the instance within the document. The Document to Structure API is already implemented in ChemAxon’s free web application, chemicalize.org, opening up chemistry found in webpages.

Index and search for documents with embedded chemical structures

SharePoint enables ChemAxon’s enterprise search technologies to automatically index and search chemical structures in documents, presentations and other file formats available to SharePoint that contain embedded chemical structures. Therefore huge document libraries and file repositories can easily be processed, opening up their chemical content to be found and used.

Connect SharePoint to your chemical database

ChemAxon’s technology allows users to connect to chemical databases and directly filter and import structures and data into Custom Lists within SharePoint. Powerful indexing and chemical database technology provide a flexible project management tool for research and development information management.