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Robert Abel

Drug Discovery Group, Schrödinger Inc., 120 West 45th Street, NY 10036‐4041, New York, NY, USA

The last 10 years have marked a turning point in advanced computational modeling clearly demonstrating its value accelerating the discovery of newer and more efficacious small‐molecule drug therapies suitable to be advanced into clinical trials. Much of this important history has not yet entered the peer‐reviewed literature, and hopefully this chapter will serve as a reference to those wishing to better understand how the idea that computational analysis could drive pharmaceutical drug discovery forward from a position of hopeful optimism to a statement of objective fact.