Chemometrics and chemoinformatics /

Annotation

Bibliographic Details
Corporate Authors:	American Chemical Society. Division of Computers in Chemistry, American Chemical Society. Meeting
Other Authors:	Lavine, Barry K., 1955-
Format:	eBook
Language:	English
Language Notes:	English.
Published:	Washington, DC : American Chemical Society : Distributed by Oxford University Press, ©2005.
Series:	ACS symposium series ; 894.
Subjects:	Chemometrics > Congresses. Cheminformatics > Congresses. Multivariate analysis. Mathematics. Structure-activity relationships (Biochemistry) Chromatographic analysis. Chemical models. Decision trees. Chemistry > statistics & numerical data Chemistry > history Informatics Multivariate Analysis Microarray Analysis Mathematics Structure-Activity Relationship Chromatography Surface Properties Toxicity Tests Databases, Chemical Models, Chemical Decision Trees Chimiométrie > Congrès. Chimio-informatique > Congrès. Analyse multivariée. Mathématiques. Relations structure-activité (Biochimie) Chromatographie. Modèles chimiques. Arbres de décision. chromatography. SCIENCE > Chemistry > Analytic. Multivariate analysis Decision trees Chromatographic analysis Chemical models Cheminformatics Chemometrics Electronic books. Congress proceedings (reports) Conference papers and proceedings Conference papers and proceedings. Actes de congrès.
Online Access:	Connect to the full text of this electronic book

Table of Contents:

Chemometrics: Past, Present, and Future / Barry D. Lavine and Jerome Workman, Jr.
Improving the Robustness of Multivariate Calibrations / Steven D. Brown, HuWei Tan, and Robert Feudale
Interpretation and Validation of PLS Models for Microarray Data / Fredrik Pettersson and Anders Berglund
Chemoinformatics: Perspectives and Challenges / Ling Xue, Florence L. Stahura, and Jürgen Bajorath
Mathematics as a Basis for Chemistry / G.W.A. Milne
On the Magnitudes of Coefficient Values in the Calculation of Chemical Similarity and Dissimilarity / John D. Holliday, Naomie Salim, and Peter Willett
Cheminformatics and Comparative Quantative Structure-Activity Relationship / Rajni Garg
Prediction of Protein Retention Times in Anion-Exchange Chromatography Systems Using Support Vector Regression / Curt M. Breneman [and others]
Analysis of Odor Structure Relationships Using Electronic Van Der Waals Surface Property Descriptors and Genetic Algorithms / Barry K. Lavine [and others]
Optimization of MDL Substructure Search Keys for the Prediction of Activity and Toxicity / Douglas R. Henry and Joseph L Durant, Jr.
Clustering Compound Data: Asymetric Clustering of Chemical Datasets / Norah E. MacCuish and John D. MacCuish
From Decision Tree to Heterogeneous Decision Forest: A Novel Chemometrics Approach for Structure-Activity Relationship Modeling / Weida Tong [and others].