High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling

Strope, Cory L.; Mansouri, Kamel; Clewell, III, Harvey J.; Rabinowitz, James R.; Stevens, Caroline; Wambaugh, John F.

doi:10.1016/j.scitotenv.2017.09.033

Title: High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling

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Authors:

;

; Clewell, III, Harvey J.; Rabinowitz, James R.; Stevens, Caroline; Wambaugh, John F.

Publication Date:: 2018-02-01

Sponsoring Org.:: USDOE

OSTI Identifier:: 1549292

Grant/Contract Number:: EPA-ORD/NCCT-2012-05

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Science of the Total Environment

Additional Journal Information:: Journal Name: Science of the Total Environment Journal Volume: 615 Journal Issue: C; Journal ID: ISSN 0048-9697

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Strope, Cory L., Mansouri, Kamel, Clewell, III, Harvey J., Rabinowitz, James R., Stevens, Caroline, and Wambaugh, John F. High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling.  Netherlands: N. p., 2018. 
Web.  doi:10.1016/j.scitotenv.2017.09.033.

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                    Strope, Cory L., Mansouri, Kamel, Clewell, III, Harvey J., Rabinowitz, James R., Stevens, Caroline, & Wambaugh, John F. High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling.  Netherlands.  https://doi.org/10.1016/j.scitotenv.2017.09.033

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                    Strope, Cory L., Mansouri, Kamel, Clewell, III, Harvey J., Rabinowitz, James R., Stevens, Caroline, and Wambaugh, John F. Thu .  
"High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling".  Netherlands.  https://doi.org/10.1016/j.scitotenv.2017.09.033.

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@article{osti_1549292,

  title        = {High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling},

  author       = {Strope, Cory L. and Mansouri, Kamel and Clewell, III, Harvey J. and Rabinowitz, James R. and Stevens, Caroline and Wambaugh, John F.},

  abstractNote = {},

  doi          = {10.1016/j.scitotenv.2017.09.033},

  journal      = {Science of the Total Environment},

  number       = C,

  volume       = 615,

  place        = {Netherlands},

  year         = {2018},

  month        = {2}

}

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