Results 191 to 200 of about 21,873 (255)

Exploratory Analysis of Factors Associated With the Recovery of Erectile Dysfunction After Rectal Cancer Surgery (Sub‐Analysis of LANDMARC Trial)

open access: yesAnnals of Gastroenterological Surgery, EarlyView.
ABSTRACT Background Erectile dysfunction (ErD) is an important complication after rectal cancer surgery, however a substantial proportion of patients experience functional recovery over time. Evidence regarding which patients are more likely to recover remains limited.
Ryosuke Mizuno   +21 more
wiley   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

open access: yesAIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim   +2 more
wiley   +1 more source

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen   +5 more
wiley   +1 more source

Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns

open access: yesAdvanced Intelligent Discovery, EarlyView.
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer   +6 more
wiley   +1 more source

Evaluating the implementation of integrated knowledge translation in a multi-country research consortium in Sub-Saharan Africa - a mixed methods comparative case study. [PDF]

open access: yesImplement Sci
Sell K   +5 more
europepmc   +1 more source

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