Instant JChem

Create, explore and share chemical data

Instant JChem (IJC) is an out-of-the-box tool that allows scientists to create, manage and analyze chemical structures and related non-chemical data. It serves as a desktop application that gives a convenient and straightforward approach to the analysis of chemical and biological data. Instant JChem is a database-centric environment that supports query and sorting functionality, and handles large volumes of data (hundreds of thousands of structures), both in local and remote databases- without any additional administration. Instant JChem has a wide ranging functionality; including customizable database views, integration of library enumeration, and dynamic population of columns with singular and combined molecular property and descriptor predictions.

Extend the capabilities of Instant JChem
Instant JChem has a wide variety of built-in features - And scripting it can be even further customized. Our experienced consultancy squad can tailor it for you!

Relational database management tool

Instant JChem - using our robust JChem Engine - can support a wide range of relational databases both locally (Derby is bundled) and remotely (Oracle, MySQL, PostgreSQL etc.). Schemas (database connections) can easily be created and administered, using the data of an existing data warehouse or importing your own data to populate it. (Read more and try data import). Chemical structures will be brought to a standard form, and you can add extra fields with various physical-chemical properties. All this data can be organized into projects, and shared with colleagues with different roles. All users can organize the data in custom views based on their own preference.

View and search the content of the database

The customizable forms and tables in Instant JChem allow users to exhibit and arrange the data based on personal needs. Data rows are easy to sort. Building even complex queries is straightforward in Instant JChem. Duplicate, substructure, full fragment, fragment and superstructure search methods are supported (more about querying). Queries and also selected compound lists can be saved for further use. Finally, exporting capabilities offer to print your results in SD file, MS Excel file, PDF file or any other text formats. The projects can be visualized in a web browser environment too, using our Plexus Connect.

Visualization and data analysis features

The data trends can be highlighted and visualized directly in Instant JChem, while it provides easy access to other tools for detailed data analysis.

Customizability to suit your needs

Public API enables the removal of limitations on box products and allows the support of specific use cases.

Instant JChem with BSSN Software's Mass Spectra tool for PepsiCo.

Web-based extension

Plexus Connect is a powerful web-based extension of Instant JChem. It provides access to relational databases managed by Instant JChem in an online environment. Database setup, project management and user administration are through Instant JChem, making Plexus Connect an easy-to-operate tool for end users.

SAR analysis grid view in Plexus Connect