AMBIT
- Introduction
- Download
AMBIT REST web services
Support
AMBIT publications
Project Documentation
Parent Project
AMBIT
For an overview of AMBIT, end-user applications and web services, please consult ambit.sourceforge.net
AMBIT modules
AMBIT SMARTS & SMIRKS
This module includes support for SMARTS parsing and querying, and an implementation of SMIRKS Reaction Transform Language.
Code examples
SMARTS
AMBIT-SMARTS is a Java library built on top of The Chemistry Development Kit. The AMBIT-SMARTS parser implements the entire SMARTS language specification with several syntax extensions that enable support for custom modifications introduced by third party software packages such as OpenEye, MOE and OpenBabel. The goal of yet another open-source SMARTS parser implementation is to achieve better performance and compatibility with multiple existing flavours of the SMARTS language, as well as to provide utilities for running efficient SMARTS queries in large structural databases.
Used by
- ToxTree for definition and query of almost all substructure alerts;
- AmbitXT standalone application for database queries;
- Embedded within AMBIT REST web services via the OpenTox web services API;
- Web applications as ToxPredict;
- by ambit2-descriptors package to reproduce the SMARTS-based pKa;
- Substructure search via web services forCADASTER project.
Code examples
Maven artifacts
ambit2-smarts all versions
Artifacts
<dependency> <groupId>ambit</groupId> <artifactId>ambit2-smarts</artifactId> <version>2.4.2</version> </dependency>
<repository>
<id>ambit-plovdiv-releases</id>
<url>http://ambit.uni-plovdiv.bg:8083/nexus/content/repositories/releases</url>
</repository>
<repository>
<id>ambit-plovdiv-snapshots</id>
<url>http://ambit.uni-plovdiv.bg:8083/nexus/content/repositories/snapshots</url>
</repository>