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Senior Project - VCLib

 

Virtual Chemical Library Enumeration and Layout Tool

Senior Project: 2002-2003
Mumin Ismailov, Ryan King, Adam LaStrange, Mersedeh Tehranian and Corydon Tucker
Boulder, CO

Array BioPharma is a drug discovery company creating new drugs through innovations in chemistry and structural biology. Array's world-class scientific team integrates chemistry and structural biology with an information-based technology platform to create higher quality drug candidates. Array provides drug discovery expertise to collaborators and for its own proprietary research.

The goal of this project was to develop a virtual chemical library enumeration and layout tool. The overall goal of the tool is to simulate chemical reactions between combinations of large reagent lists. The tool is intended for use by chemists who are working on a step of the drug development process which requires thousands of compounds that share a common set of attributes to be tested so that a few can be selected for further testing. The tool was developed in Java.

List Dialog
List Dialog
Rules
Rules
The Enumerator
The Enumerator
 
See also:
Department of Computer Science
College of Engineering and Applied Science
University of Colorado Boulder
Boulder, CO 80309-0430 USA
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