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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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Сохранить в:
Библиографические подробности
Опубликовано в: :J Cheminform
Главные авторы: Mussa, Hamse Y., Mitchell, John B. O., Glen, Robert C.
Формат: Artigo
Язык:Inglês
Опубликовано: Springer International Publishing 2015
Предметы:
Online-ссылка: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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