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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Publicat a:Molecules
Autors principals: Dobi, Krisztina, Hajdú, István, Flachner, Beáta, Fabó, Gabriella, Szaszkó, Mária, Bognár, Melinda, Magyar, Csaba, Simon, István, Szisz, Dániel, Lőrincz, Zsolt, Cseh, Sándor, Dormán, György
Format: Artigo
Idioma:Inglês
Publicat: MDPI 2014
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Article
Accés en línia: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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