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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...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer US
2021
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| Materias: | |
| 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 |