Simplex representation of molecular structure as universal QSAR/QSPR tool

We review the development and application of the Simplex approach for the solution of various QSAR/QSPR problems. The general concept of the simplex method and its varieties are described. The advantages of utilizing this methodology, especially for the interpretation of QSAR/QSPR models, are presen...

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Detalles Bibliográficos
Autores principales: Kuz’min, Victor, Artemenko, Anatoly, Ognichenko, Luidmyla, Hromov, Alexander, Kosinskaya, Anna, Stelmakh, Sergij, Sessions, Zoe L., Muratov, Eugene N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2021
Materias:
Review Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8218296/
https://www.ncbi.nlm.nih.gov/pubmed/34177203
http://dx.doi.org/10.1007/s11224-021-01793-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8218296/
https://www.ncbi.nlm.nih.gov/pubmed/34177203
http://dx.doi.org/10.1007/s11224-021-01793-z

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