Results 101 to 110 of about 245,586 (306)
MoleculesThe rank ordering of ligands remains one of the most attractive challenges in drug discovery. While physics-based in silico binding affinity methods dominate the field, they still have problems, which largely revolve around forcefield accuracy and ...
Nupur Bansal, Ye Wang, Simone Sciabola
doaj +1 more source
Advanced Engineering Materials, EarlyView.Building machine‐readable vocabularies for materials science is slow, expert‐driven work. This study benchmarks 13 large language models on two of its first steps: finding candidate terms in engineering articles and deciding where they belong in a class hierarchy.
Thomas Bjarsch +3 more
wiley +1 more source
Advanced Engineering Materials, EarlyView.We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang +2 more
wiley +1 more source
QUALITY MANAGEMENT AND PERFORMANCE IMPROVEMENT IN PUBLIC INSTITUTIONS BY BENCHMARKING APPLICATION [PDF]
Within the performed survey, the authors analyze the benchmarking definitive elements, identify the main categories of the approach referring to benchmarking, and underline the positive aspects and the critics in connection with it.
Marilena CIOBANASU +2 more
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A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science
Advanced Engineering Materials, EarlyView.We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann +8 more
wiley +1 more source
Benchmarks for health expenditures, services and outcomes in Africa during the 1990s
Bulletin of the World Health Organization, 2000 There is limited information on national health expenditures, services, and outcomes in African countries during the 1990s. We intend to make statistical information available for national level comparisons.
David H. Peters +3 more
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Advanced Engineering Materials, EarlyView.Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari +5 more
wiley +1 more source
Advanced Engineering Materials, EarlyView.Low‐voltage FIB‐SEM tomography combined with a image preprocessing pipeline improves phase contrast and enables reliable machine‐learning segmentation of conductive networks in lithium‐ion battery electrodes. Structural descriptors are extracted from segmented images, done semimanually and automated, and compared.
Lisa Beran +6 more
wiley +1 more source
On-Farm Benchmarking: How to Do It and How to Do It Better [PDF]
Benchmarking is the practice of establishing the relative performance of a business or enterprise against an appropriate standard, generally industry standards derived from a survey of farms.
Collis, Jimi, Franks, J.R.
core
No Reproducibility, No Progress: Rethinking CT Benchmarking
Journal of ImagingReproducibility is a cornerstone of scientific progress, yet in X-ray computed tomography (CT) reconstruction, it remains a critical and unresolved challenge. Current benchmarking practices in CT are hampered by the scarcity of openly available datasets,
Dmitry Polevoy +3 more
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