WWW-based chemical information system

被引：34

作者：

Ertl, P ^{[1
]}

Jacob, O ^{[1
]}

机构：

[1] Novartis Crop Protect AG, Agro Res Comp, CH-4002 Basel, Switzerland

来源：

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE | 1997年 / 419卷

关键词：

World Wide Web; chemical information; molecular properties; agrochemicals; pesticides; quantitative structure-activity relationships (QSAR);

D O I：

10.1016/S0166-1280(97)00179-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A World Wide Web (WWW) based chemical information system developed within the Crop Protection Division of Novartis is presented. The system enables easy retrieval of molecules from the corporate database, generation and editing of structures using a novel molecular editor written in Java, on-line calculation of hydrophobic and electronic physicochemical properties, generation of molecular images of various types and simple QSAR analysis. This paper illustrates the numerous advantages of WWW-based chemical information tools installed on the company intranet. (C) 1997 Elsevier Science B.V.

引用

页码：113 / 120

页数：8

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