Isy Goldwasser was named chief executive officer of Symyx Technologies in 2007, 12 years after being hired as the company's first employee in 1995. He joined the company as vice president, corporate development, and was promoted to president in 1998. In 1999, he was named to the MIT's Technology Review inaugural TR100 list of top young innovators under 35, and he is an named inventor on 28 U.S., European, and Canadian patents. Goldwasser received his B.S. degree in chemical engineering from MIT and his M.S. degree in chemical engineering from Stanford University.

Rex Jackson joined Symyx in 2007, after serving as General Counsel and in other senior management positions with several technology companies, including most recently Avago Technologies Limited and Synopsys Inc. At Synopsys, Mr. Jackson served as General Counsel in 2003 – 2006 and as interim chief financial officer in 2005-2006. He has a B.A. in political science from Duke University and a J.D. from Stanford University Law School.

Trevor Heritage joined Symyx in 2007 when Symyx acquired MDL information Systems, where he was serving as senior vice president of software product management and strategy. Previously, Dr. Heritage was senior vice president, corporate officer and general manager of Tripos Inc.'s discovery informatics and software consulting services business. He brings over 18 years of experience in pharmaceuticals, agrochemicals and chemicals research, informatics, and enterprise software. He has a Ph.D. in organic chemistry from the University of Reading, England, and he began his career with Shell Research Ltd in the UK.