Substructural Connectivity Fingerprint and Extreme Entropy Machines—A New Method of Compound Representation and Analysis

Key-based substructural fingerprints are an important element of computer-aided drug design techniques. The usefulness of the fingerprints in filtering compound databases is invaluable, as they allow for the quick rejection of molecules with a low probability of being active. However, this method is...

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Detalles Bibliográficos
Autores principales: Rataj, Krzysztof, Czarnecki, Wojciech, Podlewska, Sabina, Pocha, Agnieszka, Bojarski, Andrzej J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6100401/
https://www.ncbi.nlm.nih.gov/pubmed/29789513
http://dx.doi.org/10.3390/molecules23061242

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6100401/
https://www.ncbi.nlm.nih.gov/pubmed/29789513
http://dx.doi.org/10.3390/molecules23061242

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