Results 231 to 240 of about 13,616,121 (327)
Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches
Chemistry – A European Journal, EarlyView.ABSTRACT Machine learning (ML) models are increasingly used in quantum chemistry, but their reliability hinges on uncertainty quantification (UQ). In this study, we compare two prominent UQ paradigms—deep evidential regression (DER) and deep ensembles—on the QM9 and WS22 datasets, with a specific emphasis on the role of post hoc calibration.
Bidhan Chandra Garain +3 more
wiley +1 more source
Cortisol levels and perceived stress in emergency call operators. [PDF]
Front Public HealthKulczycka K +5 more
europepmc +1 more source
Synthetic Studies towards Darobactin A
Chemistry – A European Journal, EarlyView.The urgent need for new antibiotics led us to develop a new methodology for the synthesis of the natural product darobactin A selectively targeting gram‐negative bacteria. This study provides new insights into the synthesis of strained indole‐containing macrocycles.
Till Steiner +4 more
wiley +1 more source
Building Confidence, Diminishing Stress: A Clinical Incivility Management Initiative for Nursing Students. [PDF]
Nurs RepKim Y, Kim YS, Nwamu H, Lama A.
europepmc +1 more source
Added- and Discouraged-Worker Effects in Canada, 1953-1974
, 1976 Kuch, Peter J., Sharir, Shmuel
openaire +1 more source
The Canadian Journal of Chemical Engineering, EarlyView.Abstract A streamlined characterization framework (WSPLK) is presented for modelling complex reservoir fluids using cubic equations of state. The key methodological contribution is the introduction of a single global parameter ε directly into Pedersen's boiling‐point correlation, restoring pure‐component calibration and eliminating the need for ...
Angélica Merlo‐Robredo +3 more
wiley +1 more source
Teacher Agency in Ghanaian Schools: Impact of Career Choice Motivations and Perceptions of the Teaching Profession. [PDF]
Behav Sci (Basel)Adams F, Li Q, Mu H.
europepmc +1 more source
Can ISO/IEC 17025 serve as a tool to prevent scientific fraud in chemical research laboratories?
The Canadian Journal of Chemical Engineering, EarlyView.Abstract Scientific fraud has been documented across multiple disciplines, and chemistry is no exception. Recent studies indicate that contamination of materials, methodological errors, and unreliable data, results, or analyses account for over 25% of retracted publications.
Flor Monica Gutierrez‐Alcantara
wiley +1 more source
Advantages of Exome Sequencing Over Panel Testing for Individuals With a Seizure Indication
Annals of the Child Neurology Society, EarlyView.ABSTRACT Objective Our aim was to investigate the advantages of exome sequencing versus panel testing for patients with unexplained seizures. Methods We reviewed the diagnostic outcomes of exome sequencing by a commercial genetics laboratory for more than 16 000 individuals with a clinical history of seizures or suspected seizures.
Michelle M. Morrow +8 more
wiley +1 more source
Corporate Social Responsibility and Environmental Management, EarlyView.ABSTRACT Motivated by the growing attention and concerns surrounding climate change and the potential role of institutional investors' ownership concentration (OC) in reducing corporations' greenhouse gas (GHG) emissions, this article explores the relationship between various forms of institutional ownership and firms' GHG emission intensity. To do so,
Daniele Giordino +3 more
wiley +1 more source