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

Instituto De Química Computacional Y Catálisis

University of Valencia

Producción científica: Contribución a una revista › Artículo científico › revisión exhaustiva

Resumen

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	Inglés
Número de artículo	1122
Publicación	Applied Sciences (Switzerland)
Volumen	13
N.º	2
DOI	https://doi.org/10.3390/app13021122
Estado	Publicada - ene 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.",

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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

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DO - 10.3390/app13021122

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Application of SSIR Method for the Design of Fungicides

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