Vol. 8 No. 3 (2020) | ADMET and DMPK

Vol. 8 No. 3 (2020)

Strategies of solubility enhancement and perspectives in solubility measurements of pharmaceutical compounds, Part I

Special issue guest-edited by Christel Bergström and Antonio Llinas

Published: 27-09-2020

Editorial

Strategies of solubility enhancement and perspectives in solubility measurements of pharmaceutical compounds

Christel Bergström, Antonio Llinàs

ADMET and DMPK, Vol. 8 No. 3 (2020), 176-179

Published 27-09-2020;

DOI: https://doi.org/10.5599/admet.910
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Original Scientific Articles

Can small drugs predict the intrinsic aqueous solubility of ‘beyond Rule of 5’ big drugs?

Alex Avdeef, Manfred Kansy

ADMET and DMPK, Vol. 8 No. 3 (2020), 180-206

Published 25-04-2020;

DOI: https://doi.org/10.5599/admet.794
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Solubility prediction in the bRo5 chemical space: where are we right now?

Giuseppe Ermondi, Vasanthanathan Poongavanam, Maura Vallaro, Jan Kihlberg, Giulia Caron

ADMET and DMPK, Vol. 8 No. 3 (2020), 207-214

Published 08-07-2020;

DOI: https://doi.org/10.5599/admet.834
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- Supplementary data
Three machine learning models for the 2019 Solubility Challenge

John Mitchell

ADMET and DMPK, Vol. 8 No. 3 (2020), 215-250

Published 15-06-2020;

DOI: https://doi.org/10.5599/admet.835
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ADME prediction with KNIME: In silico aqueous solubility consensus model based on supervised recursive random forest approaches

Gabriela Falcón-Cano, Christophe Molina, Miguel Angel Cabrera-Pérez

ADMET and DMPK, Vol. 8 No. 3 (2020), 251-273

Published 08-08-2020;

DOI: https://doi.org/10.5599/admet.852
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- Supplementary data
GAFF/IPolQ-Mod+LJ-Fit: Optimized force field parameters for solvation free energy predictions

Andreas Mecklenfeld, Gabriele Raabe

ADMET and DMPK, Vol. 8 No. 3 (2020), 274-296

Published 28-06-2020;

DOI: https://doi.org/10.5599/admet.837
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- Supplementary data
Dissolution of an ensemble of differently shaped poly-dispersed drug particles undergoing solubility reduction: mathematical modelling

Michela Abrami, Lucia Grassi, Rosario Di Vittorio, Dritan Hasa, Beatrice Perissutti, Dario Voinovich, Gabriele Grassi, Italo Colombo, Mario Grassi

ADMET and DMPK, Vol. 8 No. 3 (2020), 297-313

Published 14-07-2020;

DOI: https://doi.org/10.5599/admet.841
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Mechanistic modeling of gastrointestinal motility with integrated dissolution for simulating drug absorption

Kevin Charles Johnson

ADMET and DMPK, Vol. 8 No. 3 (2020), 314-324

Published 09-06-2020;

DOI: https://doi.org/10.5599/admet.829
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