MolSql - Chemistry Cartridge for SQL Server

Ever wish you could do this in SQL Server?  Now you can with MOLSQL!

CREATE TABLE moltable (id BIGINT NOT NULL PARIMARY KEY, smiles VARCHAR(4000))
GO

MolIndex 'create', 'moltable', 'smiles', 0 /* allow duplicated structures */
GO

CREATE TABLE moltable (id BIGINT NOT NULL PARIMARY KEY, mol VARBINARY(MAX))
GO

MolIndex 'create', 'moltable', 'mol', 1 /* restrict unique structures */
GO

/* drop structure index */
MolIndex 'drop', 'moltable', 'mol', 1

GO

What is a chemistry cartridge?

A chemistry cartridge is a database extension enabling chemical and high-performance search in database tier.

With a chemistry cartridge, you can quickly build structure searchable chemistry applications without an in-depth knowledge of chemistry!  The high-performance search enables enterprise scale solutions for large compound databases.

Why SQL Server and MolSQL?

SQLServer is an enterprise database system created by Microsoft.  It is very easy for a DBA to set up and maintain, and for application developers to build soluitons. MolSQL is seamlessly built on SQLServer, enabling chemical structure search capabilities with minimal resource requirments.

What SQL Server versions and editions does MolSQL support?

MolSQL supports SQL Server 2005, 2008 and 2012 for both x86 and x64 builds.

MolSQL does work with SQL Server Express edition, but this free SQL Server edition has a 4GB storage limitation.

What features does MolSQL offer?

  1. High-performance chemical structure search on SQL Server, including substructure, full-structure and similarity searches
  2. Generates chemical structure images
  3. Has rich APIs to compute MW, MF, SMILES, etc.
  4. Supports all popular chemical file formats
  5. Supports both molecules and reactions
  6. Provide structure unique index
  7. Creates structrure fingerprints
  8. Utilizes structure hash codes
  9. Performs structure normalization
  10. Supports SQL Server 2005 and later versions.  It also supports SQL Server Express.

 

Download MolSQL Whitepaper

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