Bringing together scientists from the various disciplines of chemistry who are actively engaged in developing software and using computers to solve their problems was the main objective of the 4th workshop "Computers in Chemistry" (November 22-24, 1989) held in Hochfilzen, Tyrol. Fields covered include molecular modelling, chemometrics, synthesis planning, computer science.
Johann Gasteiger
Base Chemical reaction Computer-Aided Manufacturing (CAM) Computeranwendung/Chemie Datenbank/Chemie Diffusion FORTRAN Molecular Modelling Monte Carlo Method Simulation Software-Entwicklung/Chemie calculus database machine learning optimization