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A generalizable definition of chemical similarity for read-across

BACKGROUND: Methods that provide a measure of chemical similarity are strongly relevant in several fields of chemoinformatics as they allow to predict the molecular behavior and fate of structurally close compounds. One common application of chemical similarity measurements, based on the principle t...

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Autors principals: Floris, Matteo, Manganaro, Alberto, Nicolotti, Orazio, Medda, Ricardo, Mangiatordi, Giuseppe Felice, Benfenati, Emilio
Format: Artigo
Idioma:Inglês
Publicat: Springer International Publishing 2014
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4212147/
https://ncbi.nlm.nih.gov/pubmed/25383097
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-014-0039-1
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