Simon K. Kearsley

An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap

Simon K. Kearsley, Graham Smith · Tetrahedron Computer Methodology · 1990 · 310 citations

Engineering, Molecular Structures, Molecular Biology +8

Similarity to Molecules in the Training Set Is a Good Discriminator for Prediction Accuracy in QSAR

Robert P. Sheridan, Bradley P. Feuston, Vladimir N. Maiorov et al. · Journal of Chemical Information and Computer Sciences · 2004 · 290 citations

Drug Target, Engineering, Machine Learning +23

FLOG: A system to select ?quasi-flexible? ligands complementary to a receptor of known three-dimensional structure

Mitchell D. Miller, Simon K. Kearsley, Dennis Underwood et al. · Journal of Computer-Aided Molecular Design · 1994 · 277 citations

Medicine, Three-dimensional Structure, Mechanism Of Action +6

On the orthogonal transformation used for structural comparisons

Simon K. Kearsley · Acta Crystallographica Section A Foundations of Crystallography · 1989 · 268 citations

Geometric Modeling, Engineering, Aerospace Engineering +15

Chemical Similarity Using Physiochemical Property Descriptors

Simon K. Kearsley, Susan J Sallamack, Eugene M. Fluder et al. · Journal of Chemical Information and Computer Sciences · 1996 · 265 citations

Topological Descriptors, Engineering, Hit Identification +17