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Comparing a Query Compound with Drug Target Classes Using 3D-Chemical Similarity
3D similarity is useful in predicting the profiles of unprecedented molecular frameworks that are 2D dissimilar to known compounds. When comparing pairs of compounds, 3D similarity of the pairs depends on conformational sampling, the alignment method, the chosen descriptors, and the similarity coeff...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7352980/ https://www.ncbi.nlm.nih.gov/pubmed/32545691 http://dx.doi.org/10.3390/ijms21124208 |