Mining collections of compounds with Screening Assistant 2.

ABSTRACT:

Unlabelled

Background

High-throughput screening assays have become the starting point of many drug discovery programs for large pharmaceutical companies as well as academic organisations. Despite the increasing throughput of screening technologies, the almost infinite chemical space remains out of reach, calling for tools dedicated to the analysis and selection of the compound collections intended to be screened.

Results

We present Screening Assistant 2 (SA2), an open-source JAVA software dedicated to the storage and analysis of small to very large chemical libraries. SA2 stores unique molecules in a MySQL database, and encapsulates several chemoinformatics methods, among which: providers management, interactive visualisation, scaffold analysis, diverse subset creati

SUBMITTER: Guilloux VL 

PROVIDER: S-EPMC3547782 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature