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Evaluation of the Key Structural Features of Various Butyrylcholinesterase Inhibitors Using Simple Molecular Descriptors
In this study, we developed several QSAR models based on simple descriptors (such as topological and constitutional) to estimate butyrylcholinesterase (BChE) inhibition potency, pK(i) (or pIC(50)), of a set of 297 (289 after exclusion of outliers) structurally different compounds. The models were si...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9610766/ https://www.ncbi.nlm.nih.gov/pubmed/36296489 http://dx.doi.org/10.3390/molecules27206894 |