Mark A. Hermsmeier

Genetic Algorithm Guided Selection:  Variable Selection and Subset Selection

Sung Jin Cho, Mark A. Hermsmeier · Journal of Chemical Information and Computer Sciences · 2002 · 124 citations

Artificial Intelligence, Engineering, Feature Selection +20

Prospective Identification of Biologically Active Structures by Topomer Shape Similarity Searching

Richard D. Cramer, Michael Poss, Mark A. Hermsmeier et al. · Journal of Medicinal Chemistry · 1999 · 102 citations

Drug Target, Bioorganic Chemistry, Structural Bioinformatics +24

Are Target-Family-Privileged Substructures Truly Privileged?

Dora M. Schnur, Mark A. Hermsmeier, Andrew J. Tebben · Journal of Medicinal Chemistry · 2006 · 101 citations

Trends in Kinase Selectivity: Insights for Target Class-Focused Library Screening

Shana Posy, Mark A. Hermsmeier, Wayne Vaccaro et al. · Journal of Medicinal Chemistry · 2010 · 79 citations

Drug Target, Engineering, Hit Identification +19

Shape group studies of molecular similarity: relative shapes of Van der Waals and electrostatic potential surfaces of nicotinic agonists

Gustavo A. Arteca, Victoria B. Jammal, Paul G. Mezey et al. · Journal of Molecular Graphics · 1988 · 69 citations

Relative Shapes, Molecular Similarity, Medicine +6