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Molecular Complexity Calculated by Fractal Dimension

Molecular complexity is an important characteristic of organic molecules for drug discovery. How to calculate molecular complexity has been discussed in the scientific literature for decades. It was known from early on that the numbers of substructures that can be cut out of a molecular graph are of...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: von Korff, Modest, Sander, Thomas
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6353876/
https://ncbi.nlm.nih.gov/pubmed/30700728
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-37253-8
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