Perspiration, Inspiration, and Happenstance in Scientific Discoveries

presentation · 9 years ago
by Yvonne Martin (Martin Consulting)
Calculator Plugins (logP logD pKa etc...)

This presentation will include the mostly unwritten stories of how and why QSAR, SMILES, CLOGP, DISCO pharmacophore detection, 3D searching, and CONCORD were discovered. Hint: these inventions did not come about because a wise one set out to revolutionize some aspect of cheminformatics, but rather because a determined one sought to solve a small problem at hand. Aside from the author, the cast of characters will include Corwin Hansch, Toshio Fujita, Bob Taft, Hans Jaffe, Donald McIntyre, Dave and Art Weininger, Al Leo, John van Drie, Mark Bures, Peter Willett, TJ O’Donnell, and Bob Pearlman.