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Indirect Similarity Based Methods for Effective Scaffold-Hopping in Chemical Compounds

Methods that can screen large databases to retrieve a structurally diverse set of compounds with desirable bioactivity properties are critical in the drug discovery and development process. This paper presents a set of such methods that are designed to find compounds that are structurally different...

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Detalhes bibliográficos
Main Authors: Wale, Nikil, Watson, Ian A., Karypis, George
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2575819/
https://ncbi.nlm.nih.gov/pubmed/18402435
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci700369e
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