Application of SSIR Method for the Design of Fungicides

Jesus Vicente de Julián-Ortiz; Emili Besalú

doi:10.3390/app13021122

Application of SSIR Method for the Design of Fungicides

Jesus Vicente de Julián-Ortiz
, Emili Besalú

Institut de Química Computacional i Catàlisi

University of Valencia

Producció científica: Contribució a revista › Article científic › Avaluat per experts

Resum

The design of fungicides is a central topic in agricultural chemistry. In this manuscript, it is shown how the Superposition of Significant Interaction Rules (SSIR) method can serve the generation of new potentially active molecules. By using SSIR, it is shown how the process becomes a simple symbolic procedure without the intervention of sophisticated statistical methods, although the results obtained are comparable.

Idioma original	Anglès
Número d’article	1122
Revista	Applied Sciences (Switzerland)
Volum	13
Número	2
DOIs	https://doi.org/10.3390/app13021122
Estat de la publicació	Data de publicació - de gen. 2023

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10.3390/app13021122

https://hdl.handle.net/10256/22465

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title = "Application of SSIR Method for the Design of Fungicides",

abstract = "The design of fungicides is a central topic in agricultural chemistry. In this manuscript, it is shown how the Superposition of Significant Interaction Rules (SSIR) method can serve the generation of new potentially active molecules. By using SSIR, it is shown how the process becomes a simple symbolic procedure without the intervention of sophisticated statistical methods, although the results obtained are comparable.",

keywords = "QSAR, SSIR method, agro-chemistry, drug design, fungicides",

author = "\{de Juli{\'a}n-Ortiz\}, \{Jesus Vicente\} and Emili Besal{\'u}",

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year = "2023",

month = jan,

doi = "10.3390/app13021122",

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AU - Besalú, Emili

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N2 - The design of fungicides is a central topic in agricultural chemistry. In this manuscript, it is shown how the Superposition of Significant Interaction Rules (SSIR) method can serve the generation of new potentially active molecules. By using SSIR, it is shown how the process becomes a simple symbolic procedure without the intervention of sophisticated statistical methods, although the results obtained are comparable.

AB - The design of fungicides is a central topic in agricultural chemistry. In this manuscript, it is shown how the Superposition of Significant Interaction Rules (SSIR) method can serve the generation of new potentially active molecules. By using SSIR, it is shown how the process becomes a simple symbolic procedure without the intervention of sophisticated statistical methods, although the results obtained are comparable.

KW - QSAR

KW - SSIR method

KW - agro-chemistry

KW - drug design

KW - fungicides

UR - https://www.scopus.com/pages/publications/85146575123

U2 - 10.3390/app13021122

DO - 10.3390/app13021122

M3 - Scientific article

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JO - Applied Sciences (Switzerland)

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Application of SSIR Method for the Design of Fungicides

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