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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...
Autores principales: | Mouchlis, Varnavas D., Afantitis, Antreas, Serra, Angela, Fratello, Michele, Papadiamantis, Anastasios G., Aidinis, Vassilis, Lynch, Iseult, Greco, Dario, Melagraki, Georgia |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7915729/ https://www.ncbi.nlm.nih.gov/pubmed/33562347 http://dx.doi.org/10.3390/ijms22041676 |
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