WWW-based System for Calculation of Physicochemical Properties of Agrochemicals

摘要

World Wide Web (WWW)-based chemical information system used in the CropProtection Sector of Novartis is presented. The system enables easy retrieval of molecules fromthe corporate database, generation and editing of structures using a molecular editor written inJava, on-line calculation of hydrophobic and electronic physicochemical properties, generationof molecular images of various types, and simple quantitative structure-activity relationship(QSAR) analysis. This chapter illustrates numerous capabilities of WWW-based chemical infor-mation tools installed on the company intranet.