Results 181 to 190 of about 150,131 (321)

Developing a QSPR model for Alzheimer's drugs using topological indices and M-polynomial: A computational study. [PDF]

Sci Rep
Akhbari MH, Movahedi F, Zameni M, Shahavi MH.   +3 more
europepmc   +1 more source

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

QSAR analysis of drugs using graph based degree based topological indices and regression models. [PDF]

Sci Rep
Mufti ZS, Kabeer A, Almehizia AA, Ganati GA.   +3 more
europepmc   +1 more source

Holographic Mapping of Orbital Angular Momentum using a Terahertz Diffractive Optical Neural Network

Advanced Intelligent Discovery, EarlyView.
A compact six‐layer diffractive optical neural network enables direct recognition and spatial mapping of terahertz (THz) orbital angular momentum (OAM) beams. Fabricated by 3D printing, the system distinguishes nine OAM modes and their superpositions with high fidelity, good efficiency, and low crosstalk, offering a scalable solution for THz ...
Wei Jia, Miguel Gomez, Steve Blair, Berardi Sensale‐Rodriguez   +3 more
wiley   +1 more source

Mathematical Modeling of H1-Antihistamines: A QSPR Approach Using Topological Indices. [PDF]

ACS Omega
Manuel M, Angamuthu P.
europepmc   +1 more source

Topological indices based on degrees in Circumcoronenes of Dominatig David Derived Network

Aqsa Sabir, Ahmad Raza, Haider Ali, Muhammad Faisal Amjad   +3 more
openalex   +1 more source

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

Novel temperature-based spectral topological indices for QSPR modeling of polyacenes in predicting physicochemical properties. [PDF]

Sci Rep
Hayat S, Alanazi SJF, Belay MB, Wang S.
europepmc   +1 more source

Computing connection-based topological indices of a carbon nanotubes

Ejaz ul Haq, Abid Mahboob, Muhammad Waheed Rasheed, Sumira Sattar, Muhammad Waqas   +4 more
openalex   +1 more source

Four New Topological Indices Based on the Molecular Path Code.

, 2007
Alexandrù T. Balaban, Adrian Beteringhe, Titus Constantinescu, Petru Filip, Ovidiu Ivanciuc   +4 more
openalex   +2 more sources