Generalized in vitro-in vivo relationship (IVIVR) model based on artificial neural networks

2013
journal article
article
dc.abstract.enBackground: The aim of this study was to develop a generalized in vitro-in vivo relationship (IVIVR) model based on in vitro dissolution profiles together with quantitative and qualitative composition of dosage formulations as covariates. Such a model would be of substantial aid in the early stages of development of a pharmaceutical formulation, when no in vivo results are yet available and it is impossible to create a classical in vitro-in vivo correlation (IVIVC)/IVIVR. Methods: Chemoinformatics software was used to compute the molecular descriptors of drug substances (ie, active pharmaceutical ingredients) and excipients. The data were collected from the literature. Artificial neural networks were used as the modeling tool. The training process was carried out using the 10-fold cross-validation technique. Results: The database contained 93 formulations with 307 inputs initially, and was later limited to 28 in a course of sensitivity analysis. The four best models were introduced into the artificial neural network ensemble. Complete in vivo profiles were predicted accurately for 37.6% of the formulations. Conclusion: It has been shown that artificial neural networks can be an effective predictive tool for constructing IVIVR in an integrated generalized model for various formulations. Because IVIVC/IVIVR is classically conducted for 2–4 formulations and with a single active pharmaceutical ingredient, the approach described here is unique in that it incorporates various active pharmaceutical ingredients and dosage forms into a single model. Thus, preliminary IVIVC/IVIVR can be available without in vivo data, which is impossible using current IVIVC/IVIVR procedures.pl
dc.affiliationWydział Farmaceutyczny : Zakład Technologii Postaci Leku i Biofarmacjipl
dc.affiliationWydział Farmaceutyczny : Zakład Farmacji Społecznejpl
dc.cm.date2020-01-07
dc.cm.id58748
dc.contributor.authorMendyk, Aleksander - 130937 pl
dc.contributor.authorTuszyński, Paweł K.pl
dc.contributor.authorPolak, Sebastian - 133197 pl
dc.contributor.authorJachowicz, Renata - 129780 pl
dc.date.accessioned2020-01-17T07:50:18Z
dc.date.available2020-01-17T07:50:18Z
dc.date.issued2013pl
dc.date.openaccess0
dc.description.accesstimew momencie opublikowania
dc.description.physical223-232pl
dc.description.points35pl
dc.description.versionostateczna wersja wydawcy
dc.description.volume7pl
dc.identifier.doi10.2147/DDDT.S41401pl
dc.identifier.eissn1177-8881
dc.identifier.projectROD UJ / OPpl
dc.identifier.urihttps://ruj.uj.edu.pl/xmlui/handle/item/131473
dc.languageengpl
dc.language.containerengpl
dc.rightsUdzielam licencji. Uznanie autorstwa - Użycie niekomercyjne 3.0*
dc.rights.licenceCC-BY-NC
dc.rights.urihttp://creativecommons.org/licenses/by-nc/3.0/legalcode*
dc.share.typeotwarte czasopismo
dc.subject.enartificial neural networkspl
dc.subject.enin vitro-in vivopl
dc.subject.encorrelationpl
dc.subject.enrelationshippl
dc.subject.enbioavailabilitypl
dc.subject.ensoft computingpl
dc.subtypeArticlepl
dc.titleGeneralized in vitro-in vivo relationship (IVIVR) model based on artificial neural networkspl
dc.title.journalDrug Design, Development and Therapypl
dc.typeJournalArticlepl
dspace.entity.typePublication
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