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Chemical graph generators

Chemical graph generators are software packages to generate computer representations of chemical structures adhering to certain boundary conditions. Their development is a research topic of cheminformatics. Chemical graph generators are used in areas such as virtual library generation in drug design...

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Detalles Bibliográficos
Autores principales: Yirik, Mehmet Aziz, Steinbeck, Christoph
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7785115/
https://www.ncbi.nlm.nih.gov/pubmed/33400699
http://dx.doi.org/10.1371/journal.pcbi.1008504