Molecule database framework: a framework for creating database applications with chemical structure search capability.

ABSTRACT:

Background

Research in organic chemistry generates samples of novel chemicals together with their properties and other related data. The involved scientists must be able to store this data and search it by chemical structure. There are commercial solutions for common needs like chemical registration systems or electronic lab notebooks. However for specific requirements of in-house databases and processes no such solutions exist. Another issue is that commercial solutions have the risk of vendor lock-in and may require an expensive license of a proprietary relational database management system. To speed up and simplify the development for applications that require chemical structure search capabilities, I have developed Molecule Database Framework. The framework abstracts the storin

SUBMITTER: Kiener J 

PROVIDER: S-EPMC3892073 | biostudies-literature | 2013 Dec

REPOSITORIES: biostudies-literature