MScreen: an integrated compound management and high-throughput screening data storage and analysis system.
High-throughput screening (HTS) has historically been used by the pharmaceutical industry to rapidly test hundreds of thousands of compounds to identify potential drug candidates. More recently, academic groups have used HTS to identify new chemical probes or small interfering RNA (siRNA) that can serve as experimental tools to examine the biology or physiology of novel proteins, processes, or interactions. HTS presents a significant challenge with the vast and complex nature of data generated. This report describes MScreen, a Web-based, open-source cheminformatics application for chemical library and siRNA plate management, primary HTS and dose-response data handling, structure search, and administrative functions. Each project in MScreen can be secured with passwords or shared in an open-information environment that enables collaborators to easily compare data from many screens, providing a useful means to identify compounds with desired selectivity. Unique features include compound, substance, mixture, and siRNA plate creation and formatting; automated dose-response fitting and quality control (QC); and user, target, and assay method administration. MScreen provides an effective means to facilitate HTS information handling and analysis in the academic setting so that users can efficiently view their screening data and evaluate results for follow-up.
Center for Chemical Genomics, Life Sciences Institute, University of Michigan, Ann Arbor, MI 48109, USA. renjutj@umich.edu
Renju T
RT
Jacob
Martha J
MJ
Larsen
Scott D
SD
Larsen
Paul D
PD
Kirchhoff
David H
DH
Sherman
Richard R
RR
Neubig
D062126:Databases, Chemical; D057166:High-Throughput Screening Assays; D016247:Information Storage and Retrieval; D020407:Internet; D034741:RNA, Small Interfering; D054852:Small Molecule Libraries / Q000494:pharmacology*
D034741:RNA, Small Interfering; D054852:Small Molecule Libraries