Results 61 to 70 of about 51,606 (301)
Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
Advanced Intelligent Discovery, EarlyView.This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia +1 more
wiley +1 more source
Light‐Driven Competitive Selection in a Protein‐Catalyzed Dissipative Peptide Replication
Angewandte Chemie, EarlyView.A structurally flexible protein catalyzes replication within a dissipative reaction network driven by UVA‐induced disulfide rearrangements. The protein accelerates templated autocatalytic cycles with replication emerging as the dominant pathway.
Éva Bartus +12 more
wiley +2 more sources
A historical and contemporary overview of library encyclopedias in Ukraine [PDF]
Енциклопедичний Вісник УкраїниThe article traces the history of library encyclopedias, focusing particularly on Ukraine. It highlights that the initial attempts to compile such library lexicons in Ukraine date back to the early 20th century, though systematic ...
Viktor Sokolov
doaj +1 more source
Advanced Intelligent Discovery, EarlyView.This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu +5 more
wiley +1 more source
Regiodivergent C3 and C4 Amination of Quinolines via Radical and Ionic Pathways
Angewandte Chemie, EarlyView.A regiodivergent strategy converts a single N‐aminoquinolinium precursor into either C3‐ or C4‐aminated quinolines. Nucleophile‐induced dearomatization diverges into light‐driven N‐centered radical capture (C3) or base‐promoted SNAr (C4), enabling rapid assembly of aminoquinoline libraries and late‐stage diversification.
Ye‐Eun Kim +3 more
wiley +2 more sources
Das liest die LIBREAS, Nummer #8 (Frühling / Sommer 2021)
Library Ideas, 2021 Redaktion LIBREAS
doaj +1 more source
Advanced Intelligent Discovery, EarlyView.Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova +4 more
wiley +1 more source
Das liest die LIBREAS, Nummer #10 [Frühling / Sommer 2022]
Library Ideas, 2022 Redaktion LIBREAS
doaj +1 more source
AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes
Advanced Intelligent Discovery, EarlyView.To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song +6 more
wiley +1 more source
Informacijos Mokslai, 2013 Straipsnio tikslas – pažvelgti į bibliotekų, kaip viešojo sektoriaus institucijų, veiklos vertinimą viešojo administravimo požiūriu. Keliama sėkmingo bibliotekų veiklos vertinimo užtikrinimo problema.
Jaroslav Dvorak, Jurgita Rudžionienė
doaj +1 more source