Results 161 to 170 of about 59,820 (274)

Local Quadrupole Ellipticity as Predictor of Anion‐Affinity in Nanographenes

open access: yesJournal of Computational Chemistry, Volume 47, Issue 13, 15 May 2026.
Anion affinity in nanographenes arises from anion–π interactions in electron‐deficient regions and CH‐‐‐anion hydrogen bonds in electron‐rich domains. Quadrupole moments help describe these interactions but have limitations in polycyclic systems. A regression model based on local quadrupole ellipticity predicts binding energies, highlighting local ...
Omkar Charapale   +3 more
wiley   +1 more source

Computational Modeling Meets 3D Bioprinting: Emerging Synergies in Cardiovascular Disease Modeling

open access: yesAdvanced Healthcare Materials, Volume 15, Issue 17, 8 May 2026.
Emerging advances in three‐dimensional bioprinting and computational modeling are reshaping cardiovascular (CV) research by enabling more realistic, patient‐specific tissue platforms. This review surveys cutting‐edge approaches that merge biomimetic CV constructs with computational simulations to overcome the limitations of traditional models, improve ...
Tanmay Mukherjee   +7 more
wiley   +1 more source

A Comprehensive Review of Traditional and Machine Learning‐Assisted Diffuse Optical Spectroscopy and Imaging Techniques for Dermatological Applications

open access: yesAdvanced Photonics Research, Volume 7, Issue 5, May 2026.
This review critically examines clinical studies on both conventional and machine learning (ML)‐integrated diffuse optical spectroscopy and imaging methods for dermatological applications, with a primary focus on the past decade and inclusion of earlier foundational work where appropriate.
Iftak Hussain   +7 more
wiley   +1 more source

Artificial Intelligence Powers Protein Functional Annotation

open access: yesAdvanced Science, Volume 13, Issue 26, 8 May 2026.
This review systematically summarizes how artificial intelligence advances protein functional annotation. It organizes existing methods into six unified modeling paradigms and analyzes their applications in Gene Ontology and Enzyme Commission prediction.
Wenkang Wang   +4 more
wiley   +1 more source

Trust‐region filter algorithms utilizing Hessian information for gray‐box optimization

open access: yesAIChE Journal, Volume 72, Issue 5, May 2026.
Abstract Optimizing industrial processes often involves gray‐box models that couple algebraic glass‐box equations with black‐box components lacking analytic derivatives. Such systems challenge derivative‐based solvers. The classical trust‐region filter (TRF) algorithm provides a robust framework but requires extensive parameter tuning and numerous ...
Gul Hameed   +4 more
wiley   +1 more source

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