Combination of 2D/3D Ligand-Based Similarity Search in Rapid Virtual Screening from Multimillion Compound Repositories. Selection and Biological Evaluation of Potential PDE4 and PDE5 Inhibitors

Rapid in silico selection of target focused libraries from commercial repositories is an attractive and cost effective approach. If structures of active compounds are available rapid 2D similarity search can be performed on multimillion compound databases but the generated library requires further f...

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Dobi, Krisztina, Hajdú, István, Flachner, Beáta, Fabó, Gabriella, Szaszkó, Mária, Bognár, Melinda, Magyar, Csaba, Simon, István, Szisz, Dániel, Lőrincz, Zsolt, Cseh, Sándor, Dormán, György
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2014
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6270928/
https://ncbi.nlm.nih.gov/pubmed/24879613
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules19067008
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