Computer-aided drug design: the next 20 years

J Comput Aided Mol Des. 2007 Oct-Nov;21(10-11):591-601. doi: 10.1007/s10822-007-9142-y. Epub 2007 Nov 8.

Abstract

This perspectives article has been taken from a talk the author gave at the symposium in honor of Yvonne C. Martin's retirement, held at the American Chemical Society spring meeting in Chicago on March 25, 2007. The talk was intended as a somewhat lighthearted attempt to gaze into the future; inevitably, in print, things will come across more seriously than was intended. As we all know-the past is rarely predictive of the future.

Publication types

  • Historical Article

MeSH terms

  • Computer-Aided Design / history
  • Computer-Aided Design / trends*
  • Drug Design*
  • Drug Evaluation, Preclinical / trends
  • History, 20th Century
  • History, 21st Century
  • Ligands
  • Models, Molecular
  • Quantitative Structure-Activity Relationship
  • Software
  • Thermodynamics
  • User-Computer Interface

Substances

  • Ligands