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Molecular structure recognition by blob detection
Molecular structure recognition is fundamental in computational chemistry. The most common approach is to calculate the root mean square deviation (RMSD) between two sets of molecular coordinates. However, this method does not perform well for large molecules. In this work, a new method is proposed...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9043223/ https://www.ncbi.nlm.nih.gov/pubmed/35492772 http://dx.doi.org/10.1039/d1ra05752a |