Results 151 to 160 of about 18,532 (261)

Prediction of suitable drug for keloid through analytic hierarchy process and topological indices. [PDF]

Sci Rep
Janagi K, Usha A, Ismail R, Shanmukha MC.   +3 more
europepmc   +1 more source

Topological indices of cographs

The Wiener index, the Harary index and edge-Wiener index are classic and well-known topological indices for the characterization of molecular graphs. Firstly, we give the formulae and algorithms for these topological indices of the complements of trees and cographs.
Lepin, V.V., Benediktovich, V.I., Talmaciu, M.   +2 more
openaire   +1 more source

Electric Field‐Induced Hole‐ and Electron‐Type Flat Bands in Twisted Double Bilayer Graphene

Advanced Electronic Materials, EarlyView.
The electronic structure of twisted double bilayer graphene is visualized using angle‐resolved photoemission spectroscopy with micrometer spatial resolution at twists of 3.1∘$^\circ$ and 6.0∘$^\circ$ as a function of gate voltage. Tunable hybridization effects and flat band formation occurs between valence and conduction band states due to a finite ...
Zhihao Jiang, Dongkyu Lee, Alfred J. H. Jones, Youngju Park, Paulina Majchrzak, Kimberly Hsieh, Chakradhar Sahoo, Thomas S. Nielsen, Kenji Watanabe, Takashi Taniguchi, Philip Hofmann, Yong P. Chen, Jeil Jung, Søren Ulstrup   +13 more
wiley   +1 more source

On statistical analysis of topological indices and heat of formation for titanium diboride network. [PDF]

Sci Rep
Ismail R, Saher R, Hanif MF, Hanif MF, Siddiqui MK, Fufa SA.   +5 more
europepmc   +1 more source

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

Advanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen, Zheyu Zhang, Kelvian T. Mularso, Bonghyun Jo, Hyun Suk Jung   +4 more
wiley   +1 more source

DFT based structural modeling of chemotherapy drugs via topological indices and curvilinear regression. [PDF]

Sci Rep
Saeed F, Idrees N, Imran M.
europepmc   +1 more source

Topological Properties of International Commodity Market: How Uncertainty Affects the Linkages?

Agribusiness, EarlyView.
ABSTRACT The study aims to explore the network topology of the international commodity market by examining the interconnections among 21 commodity futures across various categories, including energy, precious and industrial metals, and agriculture. We analyze the market structure of these commodity futures under both low and high uncertainty conditions
Ibrahim Yagli, Bayram Deviren
wiley   +1 more source

Predicting flavonoid physicochemical properties using topological indices and regression modeling. [PDF]

Sci Rep
Li H, Yousaf S, Shahzadi K, Ibrahim SMM, Aslam A, Zhang G, Tola KA.   +6 more
europepmc   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Optimizing wireless sensor networks using fuzzy triangular snake graph models and fuzzy topological indices. [PDF]

Sci Rep
Hashem AF, Liaqat S, Mufti ZS, Hanif MF.
europepmc   +1 more source