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

Institute of Computational Chemistry and Catalysis

University of Valencia

Research output: Contribution to journal › Scientific article › peer-review

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.

Original language	English
Article number	1122
Journal	Applied Sciences (Switzerland)
Volume	13
Issue number	2
DOIs	https://doi.org/10.3390/app13021122
Publication status	Published - Jan 2023

Keywords

QSAR
SSIR method
agro-chemistry
drug design
fungicides

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10.3390/app13021122

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

Cite this

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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",

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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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VL - 13

JO - Applied Sciences (Switzerland)

JF - Applied Sciences (Switzerland)

IS - 2

M1 - 1122

ER -

Application of SSIR Method for the Design of Fungicides

Abstract

Keywords

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