Tetrahedron Computer Methodology

Automatic generation of 3D-atomic coordinates for organic molecules

Johann Gasteiger, Christine Rudolph, Jens Sadowski · 1990 · 517 citations

Natural Sciences, Chemistry, Computational Chemistry +15

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

Simon K. Kearsley, Graham Smith · 1990 · 312 citations

Natural Sciences, Chemistry, Computational Chemistry +10

A rapid approximation to the solvent accessible surface areas of atoms

Winnfried Hasel, Thomas F. Hendrickson, W. Clark Still · 1988 · 301 citations

Natural Sciences, Chemistry, Physics +14

Comparative molecular field analysis (CoMFA). 2. Toward its use with 3D-structural databases

Matthew Clark, Richard D. Cramer, Dumont M. Jones et al. · 1990 · 221 citations

Life Sciences, Bioinformatics, Biology +14

Principal components analysis and partial least squares regression

William J. Dunn, D. R. Scott, W. Graham Glen · 1989 · 134 citations

Natural Sciences, Biostatistics, Statistical Modeling +10