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Analysis and Comparison of Vector Space and Metric Space Representations in QSAR Modeling
The performance of quantitative structure–activity relationship (QSAR) models largely depends on the relevance of the selected molecular representation used as input data matrices. This work presents a thorough comparative analysis of two main categories of molecular representations (vector space an...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6539555/ https://www.ncbi.nlm.nih.gov/pubmed/31052325 http://dx.doi.org/10.3390/molecules24091698 |