Advances in De Novo Drug Design: From Conventional to Machine Learning Methods

De novo drug design is a computational approach that generates novel molecular structures from atomic building blocks with no a priori relationships. Conventional methods include structure-based and ligand-based design, which depend on the properties of the active site of a biological target or its...

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Библиографические подробности
Опубликовано в: :Int J Mol Sci
Главные авторы: Mouchlis, Varnavas D., Afantitis, Antreas, Serra, Angela, Fratello, Michele, Papadiamantis, Anastasios G., Aidinis, Vassilis, Lynch, Iseult, Greco, Dario, Melagraki, Georgia
Формат: Artigo
Язык:Inglês
Опубликовано: MDPI 2021
Предметы:
Review
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC7915729/
https://ncbi.nlm.nih.gov/pubmed/33562347
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms22041676
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