Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley +1 more source
QSPR graph model to explore physicochemical properties of potential antiviral drugs of dengue disease through novel coloring-based topological indices. [PDF]
Yogalakshmi C, Balamurugan BJ.
europepmc +1 more source
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
Innovative approaches in QSPR modelling using topological indices for the development of cancer treatments. [PDF]
Shi X, Kosari S, Ghods M, Kheirkhahan N.
europepmc +1 more source
Spikoder: Dual‐Mode Graphene Neuron Circuit for Hardware Intelligence
Spikoder, a graphene leaky integrate‐and‐fire circuit that operates as an encoder and a neuron in a spiking neural network (SNN), is introduced. A Spikoder‐driven double‐layer SNN shows an accuracy of 97.37% for the classification of the Modified National Institute of Standards and Technology dataset, demonstrating its potential as a key building block
Kannan Udaya Mohanan +4 more
wiley +1 more source
Exploring entropy measures with topological indices on colorectal cancer drugs using curvilinear regression analysis and machine learning approaches. [PDF]
Fazal M, Kanwal S, Raza MT, Razzaque A.
europepmc +1 more source
Roadmap on Artificial Intelligence‐Augmented Additive Manufacturing
This Roadmap outlines the transformative role of artificial intelligence‐augmented additive manufacturing, highlighting advances in design, monitoring, and product development. By integrating tools such as generative design, computer vision, digital twins, and closed‐loop control, it presents pathways toward smart, scalable, and autonomous additive ...
Ali Zolfagharian +37 more
wiley +1 more source
Experimental Observation of a Calcium Silicon Double Carbonate
High‐pressure and ‐temperature reactions between Ca5(Si2O7)(CO3)2 tilleyite and CO2 carbon dioxide yield the first experimental evidence of the double carbonate Ca2Si(CO3)4 and a new Ca2(C4O10) phase containing tetrahedral [CO4] units. These findings reveal unexpected carbonate chemistry and highlight pathways for carbon incorporation under mantle ...
Benedito Donizeti Botan‐Neto +6 more
wiley +2 more sources
Investigating the Neighborhood Degree Based Topological Indices of Certain Isomeric Natural Polymers. [PDF]
Asghar A, Rafaqat M.
europepmc +1 more source
Hub genes and diagnostic model associated with mitochondrial function in Alzheimer's disease
Alzheimer's disease (AD) is the most common neurodegenerative disorder, and mitochondrial dysfunction has been confirmed in AD patients and mouse models. However, the pathogenic genes associated with AD and early diagnostic methods based on mitochondrial function remain to be explored.
Xuchao Zhu, Ling Zhang, Chuan Qin
wiley +1 more source

