Results 151 to 160 of about 68,685,272 (228)

Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy

Advanced Intelligent Systems, EarlyView.
This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne, Haodong Yao, Liyuan Wu, Yihe Pang, Fazhi Qi, Lina Zhao   +5 more
wiley   +1 more source

Copulae of probability measures on product spaces

It has been proved (Sklar, 1959, Publ. Inst. Statist. Univ. Paris 8 229-231) that any multivariate distribution function depends on its arguments only through its marginal distributions.
Scarsini, Marco
core  

[O─I─O]+ Halogen‐Bonded Complexes of Pyridine N‐Oxides

Angewandte Chemie, EarlyView.
The missing puzzle of 3‐center‐4‐electron halogen‐bonded complexes viz. [O─I─O]+ of pyridine N‐oxides are structurally characterized by x‐ray diffraction. Monodentate N‐oxide O‐atom acts as the halogen bond acceptor. Their solution complexations are characterized by 15N NMR spectroscopy.
Rakesh Puttreddy, Sergi Burguera, Antonio Frontera, Kari Rissanen   +3 more
wiley   +2 more sources

MFDR-DTI: Multisource Feature Decoupling and Dual-Level Reorganization Fusion for Accurate Drug-Target Interaction Prediction. [PDF]

ACS Omega
Xie D, Yu X, Zeng Y, Dai Q.
europepmc   +1 more source

Austrocedrus from the Late Cretaceous of Antarctica and its implications for the early evolution of southern cypresses (Callitroideae, Cupressaceae)

American Journal of Botany, EarlyView.
Abstract Premise The modern distribution of the southern cypresses, Callitroideae (Cupressaceae), reflects a classic Gondwanan distribution. The initial diversification of Callitroideae is estimated to have occurred during the Cretaceous, yet fossils from this period are rare, hampering our understanding of its early evolutionary history.
Kelly C. Pfeiler, Kelly K. S. Matsunaga, Ana Andruchow‐Colombo, Ari Iglesias, Selena Y. Smith, Brian A. Atkinson   +5 more
wiley   +1 more source

A Comprehensive 19F NMR Framework for Fragment‐Based Drug Discovery: The Validated Screening Library OpenFL600 and Efficient Affinity Ranking by CSAR

Angewandte Chemie, EarlyView.
NMR screening is a powerful method for hit detection in drug‐discovery. We designed and validated the OpenFL600 19F$^{19}{\rm F}$ NMR library to probe diverse targets, including RNA, GPCRs, kinases, and proteases. This library yields target‐specific ligands without generating promiscuous binders.
Simon H. Rüdisser, Gabriela Stadler, Giacomo Padroni, Daria Barbash, Marco M. Ruckstuhl, Nils Lorz, Christina Jordan, Sarah Skibinski, Timo T. Stühlinger, Sarah E. Kratzwald, Katharina M. Siess, Sven Brüschweiler, Gerald Platzer, Antoine Cléry, Robert Konrat, Frédéric H.‐.T. Allain, Alvar D. Gossert   +16 more
wiley   +2 more sources

Multi-objective node placement optimization in multiplex 6G wireless networks using quantum-inspired evolutionary algorithms. [PDF]

Sci Rep
Vs D, Reddy SS, Patro KAK, Das SR.
europepmc   +1 more source

Network Analysis-Driven Machine Learning Model for Identifying High-Cost Stroke Inpatients Using Hospital Discharge Data: Retrospective Study. [PDF]

JMIR Med Inform
Shen H, Yang Y, Zhang M, Xiang J, Wang R, Yao P.   +5 more
europepmc   +1 more source

The two dragons of cognition: recursive condensation for predictive processing. [PDF]

Front Comput Neurosci
Li X.
europepmc   +1 more source

Phase-Space Approach for Topological Phase Transitions in Silicene. [PDF]

Entropy (Basel)
Kalka M, Pigoń P, Spisak BJ.
europepmc   +1 more source