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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...
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| Publicado no: | Struct Chem |
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| Main Authors: | , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer US
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8218296/ https://ncbi.nlm.nih.gov/pubmed/34177203 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11224-021-01793-z |
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