I Use This!
Activity Not Available
Analyzed 10 months ago. based on code collected 10 months ago.

Project Summary


The long-term goal of this project is to provide chemical molecule handling functions in SQL, for all common RDBMS platforms. Currently it is implemented in T-SQL and tested under MS SQL Server express 2008.

Currently featuresThe paper Chemical Substructure Search in SQL (Adel Golovin and Kim Henrick) shows a method to store chemical molecule graph in Relational Database Management Systems (RDBMS) and query by substrucure without cartridge installed on the database. That means the whole chemical registry system and the structure query is processed on pure SQL environment.

SQLMOL currently provides SQL functions as a SMILES parser to transform the SMILES string into bond table. That helps

Transforming and importing molecule graph data into RDBMS as atoms and bonds table. Parsing substructure query with SMILES and building SQL query string.

Please see the Brief Introduction and Demos. And a demo web interface in ASP.NET

A installation guide is also provied.

THIS PROJECT IS STILL IN BETA, there're still Known Issues.

Welcome contact me, zh.charlie@gmail.com


sql molecule computerchemical cheminformatics chemical chemoinformatics

In a Nutshell, sqlmol...

This Project has No vulnerabilities Reported Against it

Did You Know...

  • ...
    Black Duck offers a free trial so you can discover if there are open source vulnerabilities in your code
  • ...
    learn about Open Hub updates and features on the Open Hub blog
  • ...
    there are over 3,000 projects on the Open Hub with security vulnerabilities reported against them
  • ...
    compare projects before you chose one to use


3 Other

30 Day Summary

Apr 10 2016 — May 10 2016

12 Month Summary

May 10 2015 — May 10 2016


Be the first to rate this project
Click to add your rating
Review this Project!