Computational prediction of CNS drug exposure based on a novel in vivo dataset

Christel A S Bergstrom; Susan Ann Charman; Joseph Nicolazzo

doi:10.1007/s11095-012-0806-5

Computational prediction of CNS drug exposure based on a novel in vivo dataset

Christel A S Bergstrom, Susan Ann Charman, Joseph Nicolazzo

Research output: Contribution to journal › Article › Research › peer-review

17 Citations (Scopus)

Abstract

A qualitative computational model has been developed which accurately classifies compounds as being high or low CNS exposure drugs based on rapidly calculated molecular descriptors.

Original language	English
Pages (from-to)	3131 - 3142
Number of pages	12
Journal	Pharmaceutical Research
Volume	29
Issue number	11
DOIs	https://doi.org/10.1007/s11095-012-0806-5
Publication status	Published - 2012

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10.1007/s11095-012-0806-5

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Cite this

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title = "Computational prediction of CNS drug exposure based on a novel in vivo dataset",

abstract = "A qualitative computational model has been developed which accurately classifies compounds as being high or low CNS exposure drugs based on rapidly calculated molecular descriptors.",

author = "Bergstrom, {Christel A S} and Charman, {Susan Ann} and Joseph Nicolazzo",

year = "2012",

doi = "10.1007/s11095-012-0806-5",

language = "English",

volume = "29",

pages = "3131 -- 3142",

journal = "Pharmaceutical Research",

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publisher = "American Association of Pharmaceutical Scientists (AAPS)",

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AU - Charman, Susan Ann

AU - Nicolazzo, Joseph

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AB - A qualitative computational model has been developed which accurately classifies compounds as being high or low CNS exposure drugs based on rapidly calculated molecular descriptors.

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DO - 10.1007/s11095-012-0806-5

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JO - Pharmaceutical Research

JF - Pharmaceutical Research

SN - 0724-8741

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