Computational approaches in preclinical studies on drug discovery and development
F Wu, Y Zhou, L Li, X Shen, G Chen, X Wang… - Frontiers in …, 2020 - frontiersin.org
Because undesirable pharmacokinetics and toxicity are significant reasons for the failure of
drug development in the costly late stage, it has been widely recognized that drug ADMET …
drug development in the costly late stage, it has been widely recognized that drug ADMET …
Physiologically based pharmacokinetic modelling for first-in-human predictions: an updated model building strategy illustrated with challenging industry case studies
NA Miller, MB Reddy, AT Heikkinen, V Lukacova… - Clinical …, 2019 - Springer
Physiologically based pharmacokinetic modelling is well established in the pharmaceutical
industry and is accepted by regulatory agencies for the prediction of drug–drug interactions …
industry and is accepted by regulatory agencies for the prediction of drug–drug interactions …
Evaluation of the success of high-throughput physiologically based pharmacokinetic (HT-PBPK) modeling predictions to inform early drug discovery
Minimizing in vitro and in vivo testing in early drug discovery with the use of physiologically
based pharmacokinetic (PBPK) modeling and machine learning (ML) approaches has the …
based pharmacokinetic (PBPK) modeling and machine learning (ML) approaches has the …
The development process for discovery and clinical advancement of modern antimalarials
Malaria is a devastating disease caused by Plasmodium parasites, resulting in
approximately 435000 deaths in 2018. The impact of malaria is compounded by the …
approximately 435000 deaths in 2018. The impact of malaria is compounded by the …
In silico resources to assist in the development and evaluation of physiologically-based kinetic models
Since their inception in pharmaceutical applications, physiologically-based kinetic (PBK)
models are increasingly being used across a range of sectors, such as safety assessment of …
models are increasingly being used across a range of sectors, such as safety assessment of …
Computational modeling of human oral bioavailability: what will be next?
MÁ Cabrera-Pérez, H Pham-The - Expert opinion on drug …, 2018 - Taylor & Francis
Introduction: The oral route is the most convenient way of administrating drugs. Therefore,
accurate determination of oral bioavailability is paramount during drug discovery and …
accurate determination of oral bioavailability is paramount during drug discovery and …
The adsorption effects of biochar on carbofuran in water and the mixture toxicity of biochar-carbofuran in rats
N Cao, X Zong, X Guo, X Chen, D Nie, L Huang, L Li… - Chemosphere, 2024 - Elsevier
Carbofuran, a widely used carbamate insecticide, is frequently detected in water. In this
study, a high-performance adsorbent (WAB4) for carbofuran was obtained from laboratory …
study, a high-performance adsorbent (WAB4) for carbofuran was obtained from laboratory …
A deep neural network: mechanistic hybrid model to predict pharmacokinetics in rat
F Führer, A Gruber, H Diedam, AH Göller… - Journal of computer …, 2024 - Springer
An important aspect in the development of small molecules as drugs or agrochemicals is
their systemic availability after intravenous and oral administration. The prediction of the …
their systemic availability after intravenous and oral administration. The prediction of the …
[图书][B] Physiologically Based Pharmacokinetic (PBPK) Modeling: methods and applications in toxicology and risk assessment
Physiologically Based Pharmacokinetic (PBPK) Modeling: Methods and Applications in
Toxicology and Risk Assessment presents foundational principles, advanced techniques …
Toxicology and Risk Assessment presents foundational principles, advanced techniques …
Assessing dose-exposure–response relationships of miltefosine in adults and children using physiologically-based pharmacokinetic modeling approach
SJ Madu, K Wang, SK Chirumamilla, DB Turner… - Pharmaceutical …, 2023 - Springer
Objectives Miltefosine is the first and only oral medication to be successfully utilized as an
antileishmanial agent. However, the drug is associated with differences in exposure patterns …
antileishmanial agent. However, the drug is associated with differences in exposure patterns …