Molecular data-mining: a challenge for chemometrics

被引：20

作者：

Buydens, LMC ^{[1
]}

Reijmers, TH ^{[1
]}

Beckers, MLM ^{[1
]}

Wehrens, R ^{[1
]}

机构：

[1] Catholic Univ Nijmegen, Analyt Chem Lab, NL-6525 ED Nijmegen, Netherlands

来源：

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | 1999年 / 49卷 / 02期

关键词：

chemometrics; analytical chemistry; data-mining;

D O I：

10.1016/S0169-7439(99)00039-8

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 [计算机科学与技术];

摘要：

The discipline of chemometrics is rooted in analytical chemistry. Currently, however, the application range of chemometrical techniques is being widened to molecular questions as well, addressing molecular conformations and behaviour. With the increasing availability of databases through the world-wide web, the need for techniques that help extracting information from data is greater than ever. This problem is generally termed data-mining. Several aspects of the application of chemometrics in this domain are highlighted and a worked example is given. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：121 / 133

页数：13

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