✦ LIBER ✦

Comparative study of different structural descriptors and variable selection approaches using partial least squares in quantitative structure-activity relationships

✍ Scribed by Emilio Marengo; Rosarina Carpignano; Piero Savarino; Guido Viscardi

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 811 KB
Volume: 14
Category: Article
ISSN: 0169-7439
DOI: 10.1016/0169-7439(92)80106-e

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Quantitative structure—activity relation

Quantitative structure—activity relationship study of antiarrhythmic phenylpyridines using multivariate partial least squares modelling

✍ Kiyoshi Hasegawa; Yoshikatsu Miyashita; Shin-Ichi Sasaki; Hiroyuki Sonoki; Hirom 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 713 KB

Use of principal component analysis and

Use of principal component analysis and cluster analysis in quantitative structure-activity relationships: A comparative study

✍ Y. Darwish; T. Cserháti; E. Forgács 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 809 KB

Quantitative structure–pharmacokinetic p

Quantitative structure–pharmacokinetic parameters relationships (QSPKR) analysis of antimicrobial agents in humans using simulated annealing k-nearest-neighbor and partial least-square analysis methods

✍ Chee Ng; Yunde Xiao; Wendy Putnam; Bert Lum; Alexander Tropsha 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 125 KB

We have developed quantitative structure-pharmacokinetic parameters relationship (QSPKR) models using k-nearest-neighbor (k-NN) and partial least-square (PLS) methods to predict the volume of distribution at steady state (Vss) and clearance (CL) of 44 antimicrobial agents in humans. The performance