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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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Detalles Bibliográficos
Autores principales: von Korff, Modest, Sander, Thomas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6353876/
https://www.ncbi.nlm.nih.gov/pubmed/30700728
http://dx.doi.org/10.1038/s41598-018-37253-8