Decision trees to characterise the roles of permeability and solubility on the prediction of oral absorption
… molecular descriptors from the chemical structure, permeability and solubility related
parameters. The QSAR models (in the form of decision trees) used in this work were validated by …
parameters. The QSAR models (in the form of decision trees) used in this work were validated by …
Using neural networks and ensemble techniques based on decision trees for skin permeability prediction
E Bušatlić, A Osmanović, A Jakupović, J Nuhić… - … 2017: Proceedings of …, 2017 - Springer
… [22] used decision tree-based learning algorithms to predict analgesic consumption and
Patient Controlled Analgesia (PCA) control readjustment based on the first few hours of PCA …
Patient Controlled Analgesia (PCA) control readjustment based on the first few hours of PCA …
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
… Following cluster analysis, data classification was performed by employing the decision tree
algorithm. A relevant decision tree, with the cluster label as class label, was built in order to …
algorithm. A relevant decision tree, with the cluster label as class label, was built in order to …
A simple method to predict blood-brain barrier permeability of drug-like compounds using classification trees
JA Castillo-Garit, GM Casanola-Martin… - Medicinal …, 2017 - ingentaconnect.com
… us to obtain the classification tree (CT). In this wok, a decision tree is developed to classify
the … to estimate solubility and permeability in drug discovery and development settings1. Adv. …
the … to estimate solubility and permeability in drug discovery and development settings1. Adv. …
Logistic Classification Models for PH–Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System
… solubility–high permeability, low solubility–high permeability, … a simple decision tree and
tested to predict BCS permeability … decision tree’s criterion was the number of high permeability …
tested to predict BCS permeability … decision tree’s criterion was the number of high permeability …
In vivo models and decision trees for formulation development in early drug development: A review of current practices and recommendations for biopharmaceutical …
P Zane, H Gieschen, E Kersten, N Mathias… - European Journal of …, 2019 - Elsevier
… to modify drug solubility, release/dissolution rate, permeability and/… Solubility or permeability
enhancing formulations use … API solubility/dissolution (eg salt forms, inclusion of solubility or …
enhancing formulations use … API solubility/dissolution (eg salt forms, inclusion of solubility or …
Support tools in formulation development for poorly soluble drugs
GA Fridgeirsdottir, R Harris, PM Fischer… - Journal of …, 2016 - Elsevier
… , guidance maps, and decision trees to the most complex … permeable and soluble, class
II has high permeability but low solubility, whereas class III is opposite with high solubility …
II has high permeability but low solubility, whereas class III is opposite with high solubility …
Prediction of porosity and permeability alteration based on machine learning algorithms
… soluble rock matrix components (sodium chloride and other ionic compounds) and an increase
in porosity and permeability … Decision tree algorithm exploited in this work is implemented …
in porosity and permeability … Decision tree algorithm exploited in this work is implemented …
[HTML][HTML] Predictive modeling of skin permeability for molecules: Investigating FDA-approved drug permeability with various AI algorithms
RM Abdallah, HE Hasan, A Hammad - PLOS Digital Health, 2024 - journals.plos.org
… solubility and intestinal permeability into four categories (I to IV) [20]. The classification of
drugs into distinct classes enables a systematic understanding of drug behavior. Furthermore, …
drugs into distinct classes enables a systematic understanding of drug behavior. Furthermore, …
Estimation of solubility of acid gases in ionic liquids using different machine learning methods
H Feng, P Zhang, W Qin, W Wang, H Wang - Journal of Molecular Liquids, 2022 - Elsevier
… , the Decision Tree is chosen as the base_estimator and the number of base estimators is
1000. … In this work, the Decision Tree is also chosen as the base_estimator and the number of …
1000. … In this work, the Decision Tree is also chosen as the base_estimator and the number of …
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