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    <title>Journal of Materials Physics and Chemistry</title>
    <link>http://www.sciepub.com/journal/JMPC</link>
    <description>Journal of Materials Physics and Chemistry is a peer-reviewed, open access journal that provides rapid publication of articles in all areas of materials physics and chemistry. The goal of this journal is to provide a platform for scientists and academicians all over the world to promote, share, and discuss various new issues and developments in different areas of materials physics and chemistry.</description>
    <dc:publisher>Science and Education Publishing</dc:publisher>
		<dc:language>en</dc:language>
		<dc:rights>2013 Science and Education Publishing Co. Ltd All rights reserved.</dc:rights>
		<prism:publicationName>Journal of Materials Physics and Chemistry</prism:publicationName>
		14
		1
		January 2026
		<prism:copyright>2013 Science and Education Publishing Co. Ltd All rights reserved.</prism:copyright>
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<title>
Theoretical Study of the Toxicity of a Series of Amides Herbicides Using Quantitative Structure-activity Relationships
</title>
<link>http://pubs.sciepub.com/jmpc/14/1/1</link>
<description>
<![CDATA[This QSAR study was carried out on a series of twenty-five (25) amides herbicides and highlights the importance of four (4) key descriptors that contribute to the lethal dose . These are polarizability (Pol), lipophilicity (LogP), total energy (), and chemical potential (µ). First, the molecular descriptors were determined using the DFT method with the B3LYP/6-31+G(d,p) theory level. Next, the theoretical lipophilicity was calculated using the open-source software A/LogPS 2.1. These descriptors were combined with biological activity using multiple linear regression (MLR) to develop the model. Finally, the domain of applicability (DA) was defined to avoid any hazardous extrapolation, and it appears that all molecular structures can be used through modulation for the prediction of new analogs. These must contain key groups such as halogens (I, Br, Cl), delocalized π systems (benzene ring, conjugated double bonds), and sulfur- or phosphorus-containing groups in their respective structures in order to exhibit optimal activity.]]>
</description>
<dc:creator>
DIOMANDE  Sékou, DJABAN  Akoua Déborah, KONATE  Mory Latif, KONE  Soleymane
</dc:creator>
<dc:date>2026-05-07</dc:date>
<dc:publisher>Science and Education Publishing</dc:publisher>
<prism:publicationDate>2026-05-07</prism:publicationDate>
<prism:number>1</prism:number>
<prism:volume>14</prism:volume>
<prism:startingPage>1</prism:startingPage>
<prism:endingPage>10</prism:endingPage>
<prism:doi>10.12691/jmpc-14-1-1</prism:doi>
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