QSAR analysis and design of herbicide from quinclorac and its derivatives

Lei Yang; Peng Wang; Derui Zhou; Chuanpin Chen

QSAR analysis and design of herbicide from quinclorac and its derivatives

Lei Yang
, Peng Wang
, Derui Zhou
, Chuanpin Chen

Research output: Contribution to journal › Article › peer-review

Abstract

The relationship between the structure and the activity of quinclorac was investigated to develop more effective herbicides with less side effects. The physiological activity 12 synthesized quinclorac derivatives were analyzed. Three quantitative structure activity relation (QSAR) equations were developed for these compounds using the Hansch multi-linear regression method. The results show that the biological activity is linearly correlated with the spatial and electrical effects. After consideration of all the molecular properties, using the three QSAR equations the molecule with -CH₂-CH=CH₂ replacing the quinclorac ester has more herbicidial activity with less side effects.

Original language	English
Pages (from-to)	323-325
Number of pages	3
Journal	Qinghua Daxue Xuebao/Journal of Tsinghua University
Volume	44
Issue number	3
State	Published - Mar 2004
Externally published	Yes

Keywords

Herbicide
Molecular design
Quantitative structure activity relation (QSAR)
Quinclorac

Cite this

@article{c9339eacfe98422a8a9fd606b0646a07,

title = "QSAR analysis and design of herbicide from quinclorac and its derivatives",

abstract = "The relationship between the structure and the activity of quinclorac was investigated to develop more effective herbicides with less side effects. The physiological activity 12 synthesized quinclorac derivatives were analyzed. Three quantitative structure activity relation (QSAR) equations were developed for these compounds using the Hansch multi-linear regression method. The results show that the biological activity is linearly correlated with the spatial and electrical effects. After consideration of all the molecular properties, using the three QSAR equations the molecule with -CH2-CH=CH2 replacing the quinclorac ester has more herbicidial activity with less side effects.",

keywords = "Herbicide, Molecular design, Quantitative structure activity relation (QSAR), Quinclorac",

author = "Lei Yang and Peng Wang and Derui Zhou and Chuanpin Chen",

year = "2004",

month = mar,

language = "English",

volume = "44",

pages = "323--325",

journal = "Qinghua Daxue Xuebao/Journal of Tsinghua University",

issn = "1000-0054",

publisher = "Tsing Hua University",

number = "3",

}

TY - JOUR

T1 - QSAR analysis and design of herbicide from quinclorac and its derivatives

AU - Yang, Lei

AU - Wang, Peng

AU - Zhou, Derui

AU - Chen, Chuanpin

PY - 2004/3

Y1 - 2004/3

N2 - The relationship between the structure and the activity of quinclorac was investigated to develop more effective herbicides with less side effects. The physiological activity 12 synthesized quinclorac derivatives were analyzed. Three quantitative structure activity relation (QSAR) equations were developed for these compounds using the Hansch multi-linear regression method. The results show that the biological activity is linearly correlated with the spatial and electrical effects. After consideration of all the molecular properties, using the three QSAR equations the molecule with -CH2-CH=CH2 replacing the quinclorac ester has more herbicidial activity with less side effects.

AB - The relationship between the structure and the activity of quinclorac was investigated to develop more effective herbicides with less side effects. The physiological activity 12 synthesized quinclorac derivatives were analyzed. Three quantitative structure activity relation (QSAR) equations were developed for these compounds using the Hansch multi-linear regression method. The results show that the biological activity is linearly correlated with the spatial and electrical effects. After consideration of all the molecular properties, using the three QSAR equations the molecule with -CH2-CH=CH2 replacing the quinclorac ester has more herbicidial activity with less side effects.

KW - Herbicide

KW - Molecular design

KW - Quantitative structure activity relation (QSAR)

KW - Quinclorac

UR - https://www.scopus.com/pages/publications/2942522794

M3 - Article

AN - SCOPUS:2942522794

SN - 1000-0054

VL - 44

SP - 323

EP - 325

JO - Qinghua Daxue Xuebao/Journal of Tsinghua University

JF - Qinghua Daxue Xuebao/Journal of Tsinghua University

IS - 3

ER -

QSAR analysis and design of herbicide from quinclorac and its derivatives

Abstract

Keywords

Fingerprint

Cite this