Machine learning and artificial intelligence in physiologically based pharmacokinetic modeling

WC Chou, Z Lin - Toxicological Sciences, 2023 - academic.oup.com
Physiologically based pharmacokinetic (PBPK) models are useful tools in drug development
and risk assessment of environmental chemicals. PBPK model development requires the …

Artificial intelligence for compound pharmacokinetics prediction

O Obrezanova - Current Opinion in Structural Biology, 2023 - Elsevier
Optimisation of compound pharmacokinetics (PK) is an integral part of drug discovery and
development. Animal in vivo PK data as well as human and animal in vitro systems are …

Application of machine learning techniques to the analysis and prediction of drug pharmacokinetics

R Ota, F Yamashita - Journal of Controlled Release, 2022 - Elsevier
In this review, we describe the current status and challenges in applying machine-learning
techniques to the analysis and prediction of pharmacokinetic data. The theory of …

State-of-the-art review of artificial neural networks to predict, characterize and optimize pharmaceutical formulation

S Wang, J Di, D Wang, X Dai, Y Hua, X Gao, A Zheng… - Pharmaceutics, 2022 - mdpi.com
During the development of a pharmaceutical formulation, a powerful tool is needed to extract
the key points from the complicated process parameters and material attributes. Artificial …

Predicting total drug clearance and volumes of distribution using the machine learning-mediated multimodal method through the imputation of various nonclinical data

H Iwata, T Matsuo, H Mamada… - Journal of Chemical …, 2022 - ACS Publications
Pharmacokinetic research plays an important role in the development of new drugs.
Accurate predictions of human pharmacokinetic parameters are essential for the success of …

Computational predictions of nonclinical pharmacokinetics at the drug design stage

R Stoyanova, PM Katzberger… - Journal of Chemical …, 2023 - ACS Publications
Although computational predictions of pharmacokinetics (PK) are desirable at the drug
design stage, existing approaches are often limited by prediction accuracy and human …

Deep learning in drug discovery: a futuristic modality to materialize the large datasets for cheminformatics

A Raza, TA Chohan, M Buabeid… - Journal of …, 2023 - Taylor & Francis
Artificial intelligence (AI) development imitates the workings of the human brain to
comprehend modern problems. The traditional approaches such as high throughput …

Development of a 2D-QSAR model for tissue-to-plasma partition coefficient value with high accuracy using machine learning method, minimum required experimental …

K Handa, S Sakamoto, M Kageyama… - European Journal of Drug …, 2023 - Springer
Background The demand for physiologically based pharmacokinetic (PBPK) model is
increasing currently. New drug application (NDA) of many compounds is submitted with …

Evaluating physiochemical properties of FDA-approved orally administered drugs

TC Reese, A Devineni, T Smith, I Lalami… - Expert Opinion on …, 2024 - Taylor & Francis
Introduction Analyses of orally administered FDA-approved drugs from 1990 to 1993
enabled the identification of a set of physiochemical properties known as Lipinski's Rule of …

[HTML][HTML] Biomarker discovery using machine learning in the psychosis spectrum

W Yassin, KM Loedige, CMJ Wannan… - Biomarkers in …, 2024 - Elsevier
The past decade witnessed substantial discoveries related to the psychosis spectrum. Many
of these discoveries resulted from pursuits of objective and quantifiable biomarkers in …