title: Computational screening of combinatorial catalyst libraries.
abstract: A catalyst design methodology, utilizing combinatorial synthesis in parallel with chemometric analysis, is presented, which considers the 3D steric and electrostatic properties of substituents about a constant core structure.
authors.affiliation: School of Chemistry, University of Nottingham, University Park, Nottingham, UKNG7 2RD.
authors.forename: James L
authors.initials: JL
authors.lastname: Melville
authors.forename: Benjamin I
authors.initials: BI
authors.lastname: Andrews
authors.forename: Barry
authors.initials: B
authors.lastname: Lygo
authors.forename: Jonathan D
authors.initials: JD
authors.lastname: Hirst