Descriptors Java API examples

This repository contains Java Examples to use APIs in the com.chemaxon.descriptors package.

Getting started

This project depends on Chemaxon proprietary jchem.jar available in JChem Engines platform independent (.zip) distribution. This distribution can be downloaded manually or retrieved from the Chemaxon Public Repository with proper credentials. This Gradle project uses the second approach.

Prerequisites

• Chemaxon licenses for the used functionalities are available and installed. For details, see https://docs.chemaxon.com/display/docs/license-installation.md
• Access to the Chemaxon Public Repository. For details, see https://docs.chemaxon.com/display/docs/public-repository.md

Building the project

Call

./gradlew build -PcxnHubUser=<YOUR_PASS_EMAIL> -PcxnHubPassword=<YOUR_HUB_API_KEY>

or, if you are using Windows,

./gradlew.bat build -PcxnHubUser=<YOUR_PASS_EMAIL> -PcxnHubPassword=<YOUR_HUB_API_KEY>

API docs

JAVA API docs can be foand at the JChem Base API documentation site. The most important packages relevant to this example:

• com.chemaxon.descriptors.common
• com.chemaxon.descriptors.fingerprints.cfp
• com.chemaxon.descriptors.alignment

Licensing

This project is distributed under the Apache License 2.0. Some dependencies of this project are Chemaxon proprietary products which are not covered by this license. Please note that redistribution of Chemaxon proprietary products is not allowed.