title: Computational chemistry and cheminformatics: an essay on the future.
abstract: Computers have changed the way we do science. Surrounded by a sea of data and with phenomenal computing capacity, the methodology and approach to scientific problems is evolving into a partnership between experiment, theory and data analysis. Given the pace of change of the last twenty-five years, it seems folly to speculate on the future, but along with unpredictable leaps of progress there will be a continuous evolution of capability, which points to opportunities and improvements that will certainly appear as our discipline matures.
authors.affiliation: The Unilever Centre for Molecular Sciences Informatics, The University Chemical Laboratory, University of Cambridge, Cambridge, UK. rcg28@cam.ac.uk
authors.forename: Robert Charles
authors.initials: RC
authors.lastname: Glen
mesh_terms: D002621:Chemistry / Q000639:trends*; D017076:Computer-Aided Design / Q000639:trends; D003201:Computers / Q000639:trends*; D055808:Drug Discovery / Q000639:trends; D005544:Forecasting; D006801:Humans; D048088:Informatics / Q000639:trends*; D008958:Models, Molecular