Using pharmaceutical examples with physicochemical property prediction software to teach physical chemistry and drug design

CHED 397

Scott A MacDonald, scott.macdonald@acdlabs.com1, Karim Kassam, karim.kassam@acdlabs.com1, Sanjivanjit Bhal, sanji.bhal@acdlabs.com1, and Robin Martin, robin@acdlabs.com2. (1) Advanced Chemistry Development, Inc, 110 Yonge Street, 14th Floor, Toronto, ON M5C 1T4, Canada, (2) Advanced Chemistry Development, 110 Yonge Street, 14th Floor, Toronto, ON M5C 1T4, Canada
One of the common complaints we hear from educators attempting to teach physical chemistry is that it takes a long time for students, both undergraduate and graduate, to get a feeling for a compound's physicochemical parameters. The next gap in understanding then comes with students attempting to apply this knowledge in a “common sense” manner for problem solving, and then finally for rational drug design. This talk will outline some of the ways educators have applied physicochemical property prediction software to help students get a sense of the physicochemical properties for a compound, and how to apply multiple physicochemical parameters to problem solving.