An automated PLS search for biologically relevant QSAR descriptors Marius OlahCristian BologaTudor I. Oprea OriginalPaper Pages: 437 - 449
Variable selection and model validation of 2D and 3D molecular descriptors> Anthony NichollsNorah E. MacCuishJohn D. MacCuish OriginalPaper Pages: 451 - 474
Locally Linear Embedding for dimensionality reduction in QSAR P.-J. L’HeureuxJ. CarreauS. Y. Yue OriginalPaper Pages: 475 - 482
Genetic algorithms and self-organizing maps: a powerful combination for modeling complex QSAR and QSPR problems Ersin BayramPeter Santago IIJeffrey D. Schmitt OriginalPaper Pages: 483 - 493
Variable selection and specification of robust QSAR models from multicollinear data: arylpiperazinyl derivatives with affinity and selectivity for α2-adrenoceptors D. W. SaltL. MaccariM. G. Ford OriginalPaper Pages: 495 - 509
Comparison of commercially available genetic algorithms: GAs as variable selection tool Sabine SchefzickMary Bradley OriginalPaper Pages: 511 - 521
Descriptors you can count on? Normalized and filtered pharmacophore descriptors for virtual screening Andrew C. GoodSung-Jin ChoJonathan S. Mason OriginalPaper Pages: 523 - 527
Measuring CAMD technique performance: A virtual screening case study in the design of validation experiments Andrew C. GoodMark A. HermsmeierS.A. Hindle OriginalPaper Pages: 529 - 536
QSAR modeling based on the bias/variance compromise: a harmonious John H. KalivasJoel B. ForresterHeather A. Seipel OriginalPaper Pages: 537 - 547
Validation tools for variable subset regression Knut BaumannNikolaus Stiefl OriginalPaper Pages: 549 - 562
Statistical variation in progressive scrambling Robert D. ClarkPeter C. Fox OriginalPaper Pages: 563 - 576
Classification of a large anticancer data set by Adaptive Fuzzy Partition Nadège PiclinMarco PintoreJacques R. Chrétien OriginalPaper Pages: 577 - 586