Results 221 to 230 of about 93,106 (305)

Fully coupled hybrid in-silico modeling of atherosclerosis: A multi-scale framework integrating CFD, transport phenomena and agent-based modeling. [PDF]

Front Bioeng Biotechnol
Caballero R, Martínez MÁ, Peña E.
europepmc   +1 more source

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

Synthesis of geometrically realistic and watertight neuronal ultrastructure manifolds for in silico modeling. [PDF]

Brief Bioinform
Abdellah M, Foni A, Cantero JJG, Guerrero NR, Boci E, Fleury A, Coggan JS, Keller D, Planas J, Courcol JD, Khazen G.   +10 more
europepmc   +1 more source

Advanced Experiment Design Strategies for Drug Development

Advanced Intelligent Discovery, EarlyView.
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang, Anthony Harker, Mohan Edirisinghe, Maryam Parhizkar   +3 more
wiley   +1 more source

Discovering the Anti-Inflammatory Potential of Compounds Isolated from the Aerial Parts of <i>Gelasia tomentosa</i> (L.) Zaika, Sukhor. & N.Kilian (Syn. <i>Scorzonera tomentosa</i>), Through In Vitro Techniques and Advanced In Silico Modeling Approaches. [PDF]

Molecules
Bahadır-Acıkara Ö, Akcan B, Yılmaz-Sarıaltın S, Zidorn C.   +3 more
europepmc   +1 more source

A Generalized Framework for Data‐Efficient and Extrapolative Materials Discovery for Gas Separation

Advanced Intelligent Discovery, EarlyView.
This study introduces an iterative supervised machine learning framework for metal‐organic framework (MOF) discovery. The approach identifies over 97% of the best performing candidates while using less than 10% of available data. It generalizes across diverse MOF databases and gas separation scenarios.
Varad Daoo, Jayant K. Singh
wiley   +1 more source

Mechanistic pathways and <i>in silico</i> modeling of gallic acid-mediated protection against doxorubicin-induced nephrotoxicity in rats. [PDF]

Iran J Basic Med Sci
Teki̇n S, Çinar B, Dağ Y, Atasever A, Bolat M, Bolat İ, Laçi̇n BB, Şengül E, Yıldırım S, Warda M.   +9 more
europepmc   +1 more source

A Computational Approach for Biomimetic Design of Liver‐On‐A‐Chip

Advanced Intelligent Discovery, EarlyView.
A biomimetic liver‐on‐a‐chip with antiparallel perfusion was designed using COMSOL‐guided simulation to replicate hepatic acinus transport. Full‐scale modelling revealed diffusion‐dominated, length‐dependent nutrient gradients and low‐shear conditions.
Zhenxu Yang, Qiankun Yin, Qingxin Liu, Zhejun Xu, Ye Zhang, Christopher Vega‐Sánchez, Xiaochen Liu, Daniele Vigolo, Jiao Jiao Li, Ken‐Tye Yong   +9 more
wiley   +1 more source

Unraveling the complex interplay of sex, endocrinology, and inflammation in post-Injury articular cartilage breakdown through in silico modeling. [PDF]

Sci Rep
Hutcherson C, Luke B, Khader K, Dhaher YY.   +3 more
europepmc   +1 more source