Provisional Classification and in Silico Study of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number

H Pham-The, T Garrigues, M Bermejo… - Molecular …, 2013 - ACS Publications
Today, early characterization of drug properties by the Biopharmaceutics Classification
System (BCS) has attracted significant attention in pharmaceutical discovery and …

Highly predictive and interpretable models for PAMPA permeability

H Sun, K Nguyen, E Kerns, Z Yan, KR Yu… - Bioorganic & medicinal …, 2017 - Elsevier
Cell membrane permeability is an important determinant for oral absorption and
bioavailability of a drug molecule. An in silico model predicting drug permeability is …

ADME properties evaluation in drug discovery: prediction of Caco-2 cell permeability using a combination of NSGA-II and boosting

NN Wang, J Dong, YH Deng, MF Zhu… - Journal of chemical …, 2016 - ACS Publications
The Caco-2 cell monolayer model is a popular surrogate in predicting the in vitro human
intestinal permeability of a drug due to its morphological and functional similarity with human …

[HTML][HTML] Reliable prediction of Caco-2 permeability by supervised recursive machine learning approaches

G Falcón-Cano, C Molina, MÁ Cabrera-Pérez - Pharmaceutics, 2022 - mdpi.com
The heterogeneity of the Caco-2 cell line and differences in experimental protocols for
permeability assessment using this cell-based method have resulted in the high variability of …

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 …

A general model for prediction of Caco‐2 cell permeability

A Nordqvist, J Nilsson, T Lindmark… - QSAR & …, 2004 - Wiley Online Library
Permeability across the epithelium is one of the major barriers to drug absorption and is one
property subject to in silico prediction attempts. Prediction models provide a possibility to …

Purely in silico BCS classification: Science based quality standards for the world's drugs

A Dahan, O Wolk, YH Kim… - Molecular …, 2013 - ACS Publications
BCS classification is a vital tool in the development of both generic and innovative drug
products. The purpose of this work was to provisionally classify the world's top selling oral …

Prediction of Caco-2 cell permeability using a combination of MO-calculation and neural network

S Fujiwara, F Yamashita, M Hashida - International Journal of …, 2002 - Elsevier
In the present study, we developed an approach involving a combination of molecular orbital
(MO) calculation and neural network to predict Caco-2 cell permeability (logPapp) from the …

[HTML][HTML] QSPR model for Caco-2 cell permeability prediction using a combination of HQPSO and dual-RBF neural network

Y Wang, X Chen - RSC advances, 2020 - pubs.rsc.org
The Caco-2 cell model is widely used to evaluate the in vitro human intestinal permeability
of drugs due to its morphological and functional similarity to human enterocytes. Although it …