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Theoretical Prediction of Hydrogen-Bond Basicity pK(BHX) Using Quantum Chemical Topology Descriptors
[Image: see text] Hydrogen bonding plays an important role in the interaction of biological molecules and their local environment. Hydrogen-bond strengths have been described in terms of basicities by several different scales. The pK(BHX) scale has been developed with the interests of medicinal chem...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4004274/ https://ncbi.nlm.nih.gov/pubmed/24460383 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci400657c |
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