QSAR & QSPR
QSAR & QSPR
QSAR & QSPR
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History of <strong>QSAR</strong>• 1964, C. Hansch and T. Fujita: the biologist’s Hammettequation.• 1964, Free and Wilson, <strong>QSAR</strong> on fragments.• 1970s – 1980s – development of 2D <strong>QSAR</strong> (descriptors,mathematical formalism).• 1980s – 1990s, development of 3D <strong>QSAR</strong>(pharmacophores, CoMFA, docking).• 1990s – present, virtual screening.