Senior Project - VCLib

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.