A Visual Analytics Model Applied to Lead Generation Library Design in Drug Discovery
Shawn Konecni, Jianping Zhou, Georges Grinstein · 2009
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.