Cargando…
Magicmol: a light-weighted pipeline for drug-like molecule evolution and quick chemical space exploration
The flourishment of machine learning and deep learning methods has boosted the development of cheminformatics, especially regarding the application of drug discovery and new material exploration. Lower time and space expenses make it possible for scientists to search the enormous chemical space. Rec...
Autores principales: | Chen, Lin, Shen, Qing, Lou, Jungang |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10132416/ https://www.ncbi.nlm.nih.gov/pubmed/37101113 http://dx.doi.org/10.1186/s12859-023-05286-0 |
Ejemplares similares
-
Troubleshooting unstable molecules in chemical space
por: Senthil, Salini, et al.
Publicado: (2021) -
Chemical Space Exploration of Oxetanes
por: Alves, Fernando Rodrigues de Sá, et al.
Publicado: (2020) -
Pharmit: interactive exploration of chemical space
por: Sunseri, Jocelyn, et al.
Publicado: (2016) -
Chemical evolution across space and time
por: Zaikowski, Lori, et al.
Publicado: (2008) -
DrugEx: Deep Learning Models and Tools for Exploration
of Drug-Like Chemical Space
por: Šícho, Martin, et al.
Publicado: (2023)