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Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodologies. I. The basic concepts and types of QSAR methodologies

Nack‐Do Sung-2002-01-01
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TL;DRAbstract

The fundamental concepts on the basis of linear free energy relationship (LFER), history of development, prediction of pharmacological effects, advantages and disadvantages, etc. according to the 2D and 3D QSAR methodologies were summarized in utilizing the quantitative structure-activity relation ship (QSAR) techniques for searching and development of new agrochemicals. Objectives, role of QSAR techniques in development process of pesticides and limitations in QSARs were discussed and introduced.

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The fundamental concepts on the basis of linear free energy relationship (LFER), history of development, prediction of pharmacological effects, advantages and disadvantages, etc. according to the 2D and 3D QSAR methodologies were summarized in utilizing the quantitative structure-activity relation ship (QSAR) techniques for searching and development of new agrochemicals. Objectives, role of QSAR techniques in development process of pesticides and limitations in QSARs were discussed and introduced.

Keywords

Quantitative structure–activity relationshipTaft equationAgrochemicalBiochemical engineeringComputer scienceRelation (database)Machine learningData mining

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