What's the best way to start with JChem?

We are starting from scratch with JChem and want to create a database that allows the retrieval of structures and also related data which are attributes of the structures, for example, synonyms, odor character descriptors, computed properties, etc.  We have our structures in SDF file format, and the associated data is collected in a number of Excel tables.  Would anyone have any suggestions about the best way to bring all the data together in an initial JChem database?

For background, we intend to use the most recent version of JChem and a MySQL database on a server that will be searched by multiple users (data entry will be limited to a small number of registrars).

Thanks in advance!

Hi,

 

Probably the easiest would be to create your initial database structure and migrate the data using Instant JChem.

It supports both local and remote databases. (MySQL is supported.) And it has various features that can be useful in the scenarios that you mention:

- Merging of data from separate data sources.

- Importing of excel files is supported.

- It is possible to set up related tables in a hierarchical manner.

 

For querying the data, there are many possibilities. Here you can use Instant JChem again, or create a custom web application using the JChem Base or JChem Web Services API. We provide several example implementations here: https://www.chemaxon.com/jchem/examples/index.html

The web applications can be tried here:

https://www.chemaxon.com/ajax/

https://www.chemaxon.com/jchem/examples/db_search/index.jsp

 

This summer, we will also release a new web client feature for Instant JChem form and spreadsheet views.

Let us know if you need more information.

 

Best regards,

Szabolcs