The Gordon Research Conference on Computer-Aided Drug Design has been a premier conference in its field for more than three decades. During this period, there has been an ever-increasing interest in the application of computation to drug discovery, ranging from the all-atom simulation of molecular systems to the canonicalization and organization of molecular information. Some approaches, in particular molecular informatics, are now cornerstones of any drug discovery process. Statistics, data mining, machine learning and related concepts pervade today's drug discovery and development activities. An ever-important aspect of such research is the evaluation of progress: Is one method actually better than another? The program will be an unusual mix of cutting-edge, largely unpublished work in computational drug discovery, and lectures from experts outside the field who can give a broader view of the fundamental problems listed above and thus can illuminate the field’s greatest opportunities.