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Comparing the Pfizer Central Nervous System Multiparameter Optimization Calculator and a BBB Machine Learning Model

The ability to calculate whether small molecules will cross the blood brain barrier (BBB) is an important task for companies working in neuroscience drug discovery. For a decade, scientists have relied on relatively simplistic rules such as Pfizer’s central nervous system multiparameter optimization...

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Detalhes bibliográficos
Publicado no:ACS Chem Neurosci
Main Authors: Urbina, Fabio, Zorn, Kimberley M, Brunner, Daniela, Ekins, Sean
Formato: Artigo
Idioma:Inglês
Publicado em: 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8260158/
https://ncbi.nlm.nih.gov/pubmed/34028255
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acschemneuro.1c00265
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