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Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods
Fingerprint similarity is a common method for comparing chemical structures. Similarity is an appealing approach because, with many fingerprint types, it provides intuitive results: a chemist looking at two molecules can understand why they have been determined to be similar. This transparency is pa...
Autores principales: | Riniker, Sereina, Landrum, Gregory A |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3852750/ https://www.ncbi.nlm.nih.gov/pubmed/24063533 http://dx.doi.org/10.1186/1758-2946-5-43 |
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