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Indigo ELN

Indigo Toolkit providing enhanced chemistry SDK

4.3

(95 ratings)
Open Source
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Overview
Benefits
Features
Reviews
Overview
Benefits
Features
Reviews

Solution Overview

Indigo is a universal molecular lab software that can be used for molecular fingerprinting, substructure search and molecular visualization. Also capable of performing a molecular similarity search, it is 100% open source and provides enhanced stereochemistry support for end users, as well as a documented API for developers. Indigo is based on a cheminformatics library that incorporates a number of unique algorithms developed by EPAM, as well as some standard algorithms well-known in the cheminformatics world. Since the core part of Indigo is written in modern C++ with no third-party code or dependencies except the ubiquitous zlib and libcairo, the toolkit provides outstanding performance and excellent portability. Indigo is used by many corporations and institutions. This includes some Indigo-based commercial tools developed exclusively for our clients. Also, an open source chemical search engine — Bingo (https://solutionshub.epam.com/solution/bingo) — is developed on top of the Indigo library.

Benefits

Portability

Indigo supports Linux, Windows and Mac OS X operating systems

Dual License

Product has open source and commercial availability

Cheminformatics SDK

Extensible API can be used by end users and developers

Molecular Search

Enhanced chemistry structure search and similarity search

Performance

Written in modern C++. Includes unique algorithms for solving problems

Molecular Toolkit

Different molecular features, fingerprinting & rendering

Features

  • Input formats support: Molfiles/Rxnfiles v2000 and v3000, SDF, RDF, CML, SMILES, SMARTS
  • Portability: Pre-built binary packages are provided for Linux, Windows and for Mac OS X systems
  • Molecule and reaction rendering, best picture quality among all available products and easy SVG support
  • Automatic layout for SMILES-represented molecules and reactions
  • Canonical (isomeric) SMILES computation
  • Exact matching, substructure matching and SMARTS matching
  • Matching of tautomers and resonance structures
  • Molecule fingerprinting & molecule similarity computation
  • Fast enumeration of SSSR rings, subtrees & edge subgraphs
  • Molecular weight & molecular formula computation
  • R-Group deconvolution and scaffold detection
  • Pioneer work in computing the exact maximum common substructure for an arbitrary amount of input structures
  • Combinatorial chemistry
  • Plugins support in the API — as a reference, please see the Renderer plugin distributed together with the Indigo API

Customer Ratings & Reviews

4.3

Based on 95 votes

5 stars
53
4 stars
37
3 stars
3
2 stars
1
1 star
1
5 stars
53
4 stars
37
3 stars
3
2 stars
1
1 star
1
Most recent reviews

August 27, 2022

We've been using Indigo for substructure search, fingerprinting, and visualization. The ability to do a molecular similarity search is also very useful. All in all, we are very satisfied with it.

Author: Juniper Baker

3 users found this review helpful

April 25, 2022

Indigo is an excellent solution for those of us who need to analyze and understand complex molecular data. The software is easy to use and provides a wealth of features and functionality. Additionally, it is open source and highly customizable so I managed to adapt it to meet my specific needs.

Author: Charlie Douglas

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Questions & Answers

Where can I ask more questions about the solution?

Posted on March 1, 2020 by Julius Stokes

Please submit your inquiry using Solution Request form and you will be contacted.

Posted on March 4, 2020 by SolutionsHub Support

Where can I download the installation package?

Posted on February 2, 2020 by Mahdi Pritchard

Please look at the Downloads page for the installation package suitable for your system.

Posted on February 5, 2020 by SolutionsHub Support

Can I use Indigo in my commercial product?

Posted on January 11, 2020 by Kay Burt

Indigo version 1.0.0 was released under GNU General Public License v3.0

Indigo version 1.4.0 was re-licensed under Apache License, Version 2.

The Apache License v2.0 allows Indigo to be used as a component in proprietary software products.

If you need support licensing for the product, or there are any additional features required, EPAM can provide a standard support contract. Price depends on the support requirements and will be defined within an SOW document.

Posted on January 13, 2020 by SolutionsHub Support

Have a question? We are ready to help you.

license type

industries

Integrates with

Pipeline Pilot

KNIME

Tech Requirements

  • Windows 7+, Linux, Max OS
  • Java 1.8+, Python 2.7+, .NET

Version

v.1.20.0

Updated on June 28, 2024

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