Results 181 to 190 of about 38,633 (256)

Artificial Intelligence in Traditional Chinese Medicine: Unraveling Herbal Medicine's Mechanisms. [PDF]

Research (Wash D C)
He Y, Wu S, Li J, Chen S, Chen S, Zhang Z, He B, Hong Y, Sun C, Kai G.   +9 more
europepmc   +1 more source

Resistance to Overdoping Allows Over 2000 S cm−1 Conductivity in P(g3BTTT) With Anion‐Exchange Doping

Advanced Materials, EarlyView.
Anion‐exchange doping of conjugated polymers is an effective way to achieve high conductivities. Here, we report over 2000 S cm−1 electrical conductivity for doped P(g3BTTT). In addition, we show that P(g3BTTT) sustains exceptionally high doping levels without any drop in the charge mobility.
Basil Hunger, Maximilian M. Horn, Eva Röck, Diego Rosas Villalva, Lize Bynens, Jochen Vanderspikken, Christina Kousseff, Silène Gobeil, Olivier Bardagot, Nesibe Akmanşen‐Kalayci, Sarah H. Tolbert, Iain McCulloch, Wouter Maes, Demetra Tsokkou, Natalie Banerji   +14 more
wiley   +1 more source

Generative AI-Driven Discovery of Next-Generation Electrolytes for Alkali Metal Batteries. [PDF]

J Chem Inf Model
Pritom R, Islam MM.
europepmc   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Chemputer and chemputation-A universal chemical compound synthesis machine. [PDF]

Proc Natl Acad Sci U S A
Cronin L, Pagel S, Sharma A.
europepmc   +1 more source

Laplace‐Pressure‐Stabilized Rutile Solid‐Solution Catalysts for Acidic Water Oxidation: Enabling DSA‐Inspired Compositions

Advanced Materials, EarlyView.
The miscibility of foreign elements in rutile‐type IrO2 and SnO2 is greatly enhanced under high Laplace pressure, where their crystal size is reduced to the nanoscale. This enhancement leads to the successful synthesis of DSA‐composition solid‐solution nanocatalysts with notable durability during the acidic OER in water electrolysis.
Chang Hyun Park, Juneseo Ahn, Dongho Kim, Hyeonsoo Wi, Ki Hyun Park, Jun Seop Kim, Sangmyeong Lee, Sung‐Yoon Chung   +7 more
wiley   +1 more source

QSPR analysis of anticancer drugs using the Euler-Sombor index and theoretical insights on its minimum value for unicyclic graphs. [PDF]

Sci Rep
Shetty S, Rakshith BR, Udupa NVS.
europepmc   +1 more source

Field‐Programmed Anisotropy in Magneto‐Piezoelectric Composites for Material‐Encoded Mechanoperception

Advanced Materials, EarlyView.
Field‐programmed anisotropy imparts material‐level intelligence to soft composites. Magnetic torque dynamics drive magneto‐piezoelectric nanowires from random dispersion into deterministic axial alignment. The resulting hierarchical percolation networks confine electromechanical coupling to specific axes and intrinsically decouple superposed force ...
Yubin Kim, Yumin Kwon, Dabin Kim, Minsun Oh, Jin Young Jung, Dongyeong Gim, Kootak Hong, Jun Yeon Hwang, Sang‐Woo Kim, Minjeong Ha   +9 more
wiley   +1 more source

Automated Discovery of Reactive Events via Hypergraph Mining of Ab Initio Atomistic Simulations. [PDF]

J Chem Theory Comput
Stan-Bernhardt A, Pellizzoni P, Borgwardt K, Ochsenfeld C.   +3 more
europepmc   +1 more source

Resolving Heterogeneity of Targeted Lipid Nanoparticles Through Solution‐Based Biophysical Analyses

Advanced Materials, EarlyView.
AF4‐UV‐DLS‐MALS‐SAXS resolves previously inaccessible targeted lipid nanoparticle (tLNP) subpopulations that differ in size, shape, and composition. Correlation of subpopulation‐resolved biophysical properties with in vivo RNA delivery reveals that targeted placental transfection is associated with distinct tLNP subpopulations rather than ensemble ...
Hannah C. Geisler, Hannah C. Safford, Ajay S. Thatte, Marshall S. Padilla, Elisa Battistini, Hannah M. Yamagata, Violet M. Ullman, Alex Chan, Benjamin E. Nachod, Anushka Agrawal, Maxwell B. Watkins, Jesse B. Hopkins, Andrew Tsourkas, Kushol Gupta, Michael J. Mitchell   +14 more
wiley   +1 more source