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A Visual Analytics Model Applied to Lead Generation Library Design in Drug Discovery

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3 Author(s)
Konecni, S. ; Univ. of Massachusetts Lowell, Lowell, MA, USA ; Jianping Zhou ; Grinstein, G.

Lead generation library design is an iterative process of selecting compounds that would make ideal drug candidates. We propose a visual analytics model for effective evaluation of various compound selection strategies. This model incorporates a clustering strategy and a set of evaluation metrics for understanding the current state of knowledge to enable decision making and process customization between iterations.

Published in:

Information Visualisation, 2009 13th International Conference

Date of Conference:

15-17 July 2009