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A note on utilising binary features as ligand descriptors
It is common in cheminformatics to represent the properties of a ligand as a string of 1’s and 0’s, with the intention of elucidating, inter alia, the relationship between the chemical structure of a ligand and its bioactivity. In this commentary we note that, where relevant but non-redundant featur...
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| Publicado no: | J Cheminform |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4665894/ https://ncbi.nlm.nih.gov/pubmed/26628925 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-015-0105-3 |
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