REALISIS:  A Medicinal Chemistry-Oriented Reagent Selection, Library Design, and Profiling Platform

REALISIS is a software system for reagent selection, library design, and profiling, developed to fit the workflow of bench chemists and medicinal chemists. Designed to be portable, the software offers a comprehensive graphical user interface and rapid, integrated functionalities required for reagent...

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Bibliographic Details
Published in:Journal of Chemical Information and Computer Sciences 2004-11, Vol.44 (6), p.2199-2206
Main Authors: Yasri, Aziz, Berthelot, Didier, Gijsen, Harry, Thielemans, Theo, Marichal, Patrick, Engels, Michael, Hoflack, Jan
Format: Article
Language:English
Subjects:
Biotechnology
Chemistry
Pharmaceuticals
Software
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Description
Summary:REALISIS is a software system for reagent selection, library design, and profiling, developed to fit the workflow of bench chemists and medicinal chemists. Designed to be portable, the software offers a comprehensive graphical user interface and rapid, integrated functionalities required for reagent retrieval and filtering, product enumeration, and library profiling. REALISIS is component-based, consisting of four main modules:  reagent searching; reagent filtering; library enumeration; and library profiling. Each module allows the chemist to access specific functionalities and diverse filtering and profiling mechanisms. By implementing the entire process of reagent selection, library design, and profiling and by integrating all the necessary functionalities for this process, REALISIS cuts the time required to design combinatorial and noncombinatorial libraries from several days to a few hours.
ISSN:0095-2338
1549-9596
1549-960X
DOI:10.1021/ci049879i