Results 71 to 80 of about 78,135 (298)

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

open access: yesAdvanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu   +7 more
wiley   +1 more source

dan11mcguire/smile: v1.1.0

open access: yes
<p>Code for fitting SMILE models.</p ...
dan11mcguire
core   +1 more source

ZrCo3B2 and HfCo3B2 Electrodes Go on Stage for Oxygen Evolution Reaction

open access: yesAdvanced Science, EarlyView.
The intermetallic compounds ZrCo3B2 and HfCo3B2 with distinctive chemical bonding features are excellent OER precursors, restructuring into OER‐active electrocatalysts delivering significantly high OER activities compared to the elemental Co, which is obvious from their lower onset potentials and increased obtained current densities.
Fatma Aras   +4 more
wiley   +1 more source

Cross-Cultural Perspectives on Fake News: A Comparative Study of Instagram Users in Greece and Portugal

open access: yesInformation
As our society increasingly relies on digital platforms for information, the spread of fake news has become a pressing concern. This study investigates the ability of Greek and Portuguese Instagram users to identify fake news, highlighting the influence ...
Evangelia Pothitou   +2 more
doaj   +1 more source

Similarity‐Enhanced Representation Learning of Non‐Canonical Amino Acids for Therapeutic Peptide Modeling

open access: yesAdvanced Science, EarlyView.
Non‐canonical amino acids (ncAAs) enhance peptide therapeutics but remain difficult to model computationally. SinCAA, a similarity‐enhanced pretraining framework, jointly optimizes contrastive learning guided by a novel conformational similarity metric with masked node reconstruction, capturing both functional relationships and chemical identity of ...
Chencheng Xu   +8 more
wiley   +1 more source

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng   +4 more
wiley   +1 more source

Cardioprotective role of zofenopril in hypertensive patients with acute myocardial infarction: a pooled individual data analysis of the SMILE studies

open access: yes, 2017
Purpose: The four SMILE studies demonstrated that early administration of zofenopril following acute myocardial infarction is prognostically beneficial compared to placebo or other angiotensin-converting enzyme (ACE) inhibitors.
Omboni, Stefano   +6 more
core   +1 more source

LLM‐Based Scientific Assistants for Knowledge Extraction: Which Design Choices Matter?

open access: yesAdvanced Intelligent Discovery, EarlyView.
A comprehensive framework for optimizing Large Language Models in domain‐specific applications is introduced. The LLM Playground integrates Prompt Engineering, knowledge augmentation, and advanced reasoning strategies to enable systematic comparison of architectures and base models.
David Exler   +7 more
wiley   +1 more source

Gambaran komponen senyum pada mahasiswa Fakultas Kedokteran Gigi Universitas Airlangga (Smile components of dental students of Airlangga University) [PDF]

open access: yes, 2012
Background: Optimal facial esthetics is one of the objectives in orthodontic treatment and an important issue in modern society. To reach this result, the orthodontists need to recognize the characteristecs considered normal and pleasant in dental arches
Ervina R Winoto   +2 more
core   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

open access: yesAdvanced 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

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