Application of data mining approach to identify drug subclasses based on solubility and permeability

B Gatarić, J Parojčić - Biopharmaceutics & Drug Disposition, 2019 - Wiley Online Library
Solubility and permeability are recognized as key parameters governing drug intestinal
absorption and represent the basis for biopharmaceutics drug classification. The …

Logistic Classification Models for PH–Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System

M Oja, S Sild, U Maran - Journal of Chemical Information and …, 2019 - ACS Publications
Permeability is used to describe and evaluate the absorption of drug substances in the
human gastrointestinal tract (GIT). Permeability is largely dependent on fluctuating pH that …

Structure‐based prediction of human intestinal membrane permeability for rapid in silico BCS classification

L Sun, X Liu, R Xiang, C Wu, Y Wang… - … & drug disposition, 2013 - Wiley Online Library
Human effective intestinal membrane permeability (Peff) is one of the two important
indicators for drug classification according to the Biopharmaceutical Classification System …

[HTML][HTML] Advanced analytical tools for the estimation of gut permeability of compounds of pharmaceutical interest

A Biancolillo, L Mennitti, M Foschi, F Marini - Applied Sciences, 2022 - mdpi.com
Featured Application QSAR model for the determination of gut permeability of 228
pharmacological drugs at different pH conditions. Abstract The present study aims at …

Integrating theoretical and experimental permeability estimations for provisional biopharmaceutical classification: Application to the WHO essential medicines

MÁ Cabrera‐Pérez, H Pham‐The… - … & Drug Disposition, 2018 - Wiley Online Library
The accuracy of the provisional estimation of the Biopharmaceutics Classification System
(BCS) is heavily influenced by the permeability measurement. In this study, several …

pH-permeability profiles for drug substances: Experimental detection, comparison with human intestinal absorption and modelling

M Oja, U Maran - European Journal of Pharmaceutical Sciences, 2018 - Elsevier
The influence of pH on human intestinal absorption is frequently not considered in early
drug discovery studies in the modelling and subsequent prediction of intestinal absorption …

Decision trees to characterise the roles of permeability and solubility on the prediction of oral absorption

D Newby, AA Freitas, T Ghafourian - European journal of medicinal …, 2015 - Elsevier
Oral absorption of compounds depends on many physiological, physiochemical and
formulation factors. Two important properties that govern oral absorption are in vitro …

pH-Dependent solubility and permeability criteria for provisional biopharmaceutics classification (BCS and BDDCS) in early drug discovery

MV Varma, I Gardner, SJ Steyn, P Nkansah… - Molecular …, 2012 - ACS Publications
The Biopharmaceutics Classification System (BCS) is a scientific framework that provides a
basis for predicting the oral absorption of drugs. These concepts have been extended in the …

Predicting the Extent of Metabolism Using in Vitro Permeability Rate Measurements and in Silico Permeability Rate Predictions

CM Hosey, LZ Benet - Molecular pharmaceutics, 2015 - ACS Publications
The Biopharmaceutics Drug Disposition Classification System (BDDCS) can be utilized to
predict drug disposition, including interactions with other drugs and transporter or …

Constructing an in silico three-class predictor of human intestinal absorption with Caco-2 permeability and dried-DMSO solubility

T Esaki, R Ohashi, R Watanabe… - Journal of …, 2019 - Elsevier
Absorption of drugs is the first step after dosing, and it largely affects drug bioavailability.
Hence, estimating the fraction of absorption (Fa) in humans is important in the early stages …