Rapid Identification of Potential Drug Candidates from Multi-Million Compounds’ Repositories. Combination of 2D Similarity Search with 3D Ligand/Structure Based Methods and In Vitro Screening

Rapid in silico selection of target focused libraries from commercial repositories is an attractive and cost-effective approach in early drug discovery. If structures of active compounds are available, rapid 2D similarity search can be performed on multimillion compounds’ databases. This approach ca...

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Detalles Bibliográficos
Autores principales: Szilágyi, Katalin, Flachner, Beáta, Hajdú, István, Szaszkó, Mária, Dobi, Krisztina, Lőrincz, Zsolt, Cseh, Sándor, Dormán, György
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8468386/
https://www.ncbi.nlm.nih.gov/pubmed/34577064
http://dx.doi.org/10.3390/molecules26185593

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8468386/
https://www.ncbi.nlm.nih.gov/pubmed/34577064
http://dx.doi.org/10.3390/molecules26185593

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