Ligand binding to domain-3 of human serum albumin: a chemometric analysis Philip J. HajdukRenaldo MendozaYvonne C. Martin OriginalPaper Pages: 93 - 102
QSAR modeling of β-lactam binding to human serum proteins L. Mark HallLowell H. HallLemont B. Kier OriginalPaper Pages: 103 - 118
On the detection of multiple-binding modes of ligands to proteins, from biological, structural, and modeling data Paul J. LewisMarc de JongeChih Ho OriginalPaper Pages: 129 - 134
Superimposition evaluation of ecdysteroid agonist chemotypes through multidimensional QSAR Robert E. HormannLaurence DinanPensri Whiting OriginalPaper Pages: 135 - 153
Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks S.J. PatankarP.C. Jurs OriginalPaper Pages: 155 - 171
Improved mapping of protein binding sites Tamas KortvelyesiMichael SilbersteinSandor Vajda OriginalPaper Pages: 173 - 186
C-QSAR: a database of 18,000 QSARs and associated biological and physical data Alka Kurup OriginalPaper Pages: 187 - 196
The nature of topological parameters. I. Are topological parameters `fundamental properties'? Marvin Charton OriginalPaper Pages: 197 - 209
The nature of topological parameters. II. The composition of topological parameters Marvin ChartonBarbara I. Charton OriginalPaper Pages: 211 - 221
Chain melting temperature estimation for phosphatidyl cholines by quantum mechanically derived quantitative structure property relationships Andrew J. HolderDavid M. YourteeRobert Smith OriginalPaper Pages: 223 - 230
New developments in PEST shape/property hybrid descriptors Curt M. BrenemanC. Matthew SundlingMark J. Embrechts OriginalPaper Pages: 231 - 240
Rational selection of training and test sets for the development of validated QSAR models Alexander GolbraikhMin ShenAlexander Tropsha OriginalPaper Pages: 241 - 253
Using particle swarms for the development of QSAR models based on K-nearest neighbor and kernel regression Walter CedeñoDimitris K. Agrafiotis OriginalPaper Pages: 255 - 263
Boosted leave-many-out cross-validation: the effect of training and test set diversity on PLS statistics Robert D. Clark OriginalPaper Pages: 265 - 275