SMSD download | SourceForge.net

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

sh SMSD -Q MOL -q Data/ATP.mol -T MOL -t Data/ADP.mol -O SMI -o -- -r -z -b -g

Example of N-MCS (MCSS): sh SMSD -T SDF -t Data/arom.sdf -N -O SMI -o -- -r -z -b -g

Project Activity

See All Activity >

License

Creative Commons Attribution License

Follow SMSD

SMSD Web Site

Other Useful Business Software

Demo Series - Small Business Backup By Veeam

Learn how to protect your Microsoft 365 data, with simple, actionable tips today.

Watch this on-demand demo series and learn how to protect your Microsoft 365 data with clear, simple, actionable steps that are easy to implement for businesses of all sizes.

Watch Demo Series

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

Similar Business Software

Apify

Apify is a full-stack web scraping and automation platform helping anyone get value from the web. At its core is Apify Store, a marketplace with over 10,000 Actors where developers build, publish, and monetize automation tools. Actors are serverless cloud programs that extract data, automate...

See Software
Highcharts

Highcharts is a JavaScript charting library that allows developers to create interactive and visually appealing charts for web applications. It offers a wide range of chart types, including line charts, bar charts, pie charts, scatter plots, and more. It also supports different types of data,...

See Software
Gearset

Gearset is the complete, enterprise-ready Salesforce DevOps platform, enabling teams to implement best practices across the entire DevOps lifecycle. With powerful solutions for metadata and CPQ deployments, CI/CD, testing, code scanning, sandbox seeding, backups, archiving, observability, and...

See Software
Process Street

Process Street is an AI-powered compliance operations platform that automates complex workflows, enforces standards, and tracks audit data in real time. Teams use it to create structured SOPs, assign tasks, collect data, and monitor execution with intelligent oversight. From onboarding and...

See Software
SurveyJS

SurveyJS is an embeddable, self-hosted, white-label form builder for teams building custom forms, surveys, questionnaires, and other data collection tools inside web applications. It runs entirely on the client and is fully compatible with all modern JavaScript frameworks, including React,...

See Software
Google Cloud Platform

Google Cloud is a cloud-based service that allows you to create anything from simple websites to complex applications for businesses of all sizes. New customers get $300 in free credits to run, test, and deploy workloads. All customers can use 25+ products for free, up to monthly usage...

See Software