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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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Pubblicato in:Sci Rep
Autori principali: von Korff, Modest, Sander, Thomas
Natura: Artigo
Lingua:Inglês
Pubblicazione: Nature Publishing Group UK 2019
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Accesso online: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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