SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will help us to find similarity/distance between two molecules. MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure).

Features

  • Maximum Common Subgraph (MCS)
  • Common Subgraph
  • Substructure
  • Java
  • Library
  • Small Molecule
  • Chemo-informatics
  • Substructure Search
  • Similarity Search
  • Tanimoto
  • Virtual Screening
  • Drug

Project Samples

Project Activity

See All Activity >

License

Creative Commons Attribution License

Follow SMSD

SMSD Web Site

Other Useful Business Software
Gen AI apps are built with MongoDB Atlas Icon
Gen AI apps are built with MongoDB Atlas

Build gen AI apps with an all-in-one modern database: MongoDB Atlas

MongoDB Atlas provides built-in vector search and a flexible document model so developers can build, scale, and run gen AI apps without stitching together multiple databases. From LLM integration to semantic search, Atlas simplifies your AI architecture—and it’s free to get started.
Start Free
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of SMSD!

Additional Project Details

Operating Systems

BSD, Linux, Windows

Intended Audience

Agriculture, Developers, End Users/Desktop, Healthcare Industry, Non-Profit Organizations, Science/Research

User Interface

Java AWT, Java Swing, Java SWT

Programming Language

Java

Related Categories

Java Algorithms, Java Chemistry Software, Java Bio-Informatics Software

Registered

2013-02-01