Results 221 to 230 of about 167,809 (296)

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

In silico modeling the potential clinical effect of growth factor treatment on the metabolism of human nucleus pulposus cells. [PDF]

JOR Spine
McDonnell EE, Ní Néill T, Wilson N, Darwish SL, Butler JS, Buckley CT.   +5 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

Aflibercept Off-Target Effects in Diabetic Macular Edema: An In Silico Modeling Approach. [PDF]

Int J Mol Sci
Blanot M, Casaroli-Marano RP, Mondéjar-Medrano J, Sallén T, Ramírez E, Segú-Vergés C, Artigas L.   +6 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

MSC-extracellular vesicle microRNAs target host cell-entry receptors in COVID-19: in silico modeling for in vivo validation. [PDF]

Stem Cell Res Ther
Al Saihati HA, Dessouky AA, Salim RF, Elgohary I, El-Sherbiny M, Ali FEM, Moustafa MMA, Shaheen D, Forsyth NR, Badr OA, Ebrahim N.   +10 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

Author Correction: Multi-target in-silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors. [PDF]

Sci Rep
Shah SK, Chaple DR, Masand VH, Jawarkar RD, Chaudhari S, Abiramasundari A, Zaki MEA, Al-Hussain SA.   +7 more
europepmc   +1 more source

Accelerating Biosensor Discovery: A Computationally‐Driven Pipeline for Microplastics Monitoring

Advanced Intelligent Discovery, EarlyView.
A computationally guided pipeline unites molecular simulation, synthetic biology, electrochemical engineering, and machine learning to accelerate biosensor discovery. A Bacillus anthracis carbohydrate‐binding module is used to develop a high‐performance micro‐ and nanoplastics sensor with greatly reduced error and variability.
Gabriel X. Pereira, Marcos de C. Leite, Pedro H. M. Zanineli, Juliana N. Y. Costa, Débora M. Cunha, Sophia P. Serra, Pedro H. Sophia, Flávio M. Shimizu, Yasmin W. Moura, Célio C. Oliveira, Gabriel R. Schleder, Gabriela F. Persinoti, Leandro Merces, Renato S. Lima   +13 more
wiley   +1 more source