Results 51 to 60 of about 21,644 (265)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

Cool Guys and Warm Husbands

Evolutionary Psychology, 2015
While smiling enhances women’s facial attractiveness, the findings are inconclusive for men. The present study investigated the effect of smiling on male facial attractiveness for short- and long-term prospective partners using East Asian and European ...
Matia Okubo, Kenta Ishikawa, Akihiro Kobayashi, Bruno Laeng, Luca Tommasi   +4 more
doaj   +1 more source

Decoupling Intrinsic Molecular Efficacy From Platform Effects: An Interpretable Machine Learning Framework for Unbiased Perovskite Passivator Discovery

Advanced Science, EarlyView.
This study establishes an interpretable machine learning framework that disentangles the intrinsic molecular efficacy of passivators from experimental platform effects—enabling unbiased, high‐throughput discovery of effective perovskite surface modifiers.
Jing Zhang, Ziyuan Li, Shan Gao, Zhen Zhu, Jing Wang, Xiangmei Duan   +5 more
wiley   +1 more source

The Relationship Between Smile Type, Dental Composition, and Personality Traits in Young Adults

Galician Medical Journal
Introduction. This study investigates the complex interplay between dental compositions, smile styles, and personality traits in young adults seeking oral and dental care, guided by the Visagism paradigm. Methods. A total of 150 young adult volunteers
Meltem Tekbaş-Atay, Mediha Büyükgöze-Dindar   +1 more
doaj   +1 more source

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Perceptions of Iranian dental students versus laypeople to altered smile esthetics: A cross-sectional study

Journal of Education and Health Promotion
BACKGROUND: The aim of this research is to explore the perceptions of an attractive smile among dentists and nonprofessionals by analyzing digitally altered smile images. MATERIALS AND METHODS: The study involved two evaluation groups: 50 dental students
Zeinab Bahrani, Zeynab Afzali, Sepehr Ghasemipour, Hossein Bahrani   +3 more
doaj   +1 more source

Topology‐Aware Deep Learning on Higher‐Order Structures for Drug Response Prediction

Advanced Science, EarlyView.
We present TopDr, a topology‐aware deep learning framework that encodes both drugs and cell lines as multiscale simplicial complexes, capturing interactions at the 0‐, 1‐, and 2‐simplex levels. By jointly integrating local higher‐order neighborhoods and global topological structures, TopDr generates enriched representations for sensitivity prediction ...
Cong Shen, Guancen Lin, Chuan‐Shen Hu, Yong Wang   +3 more
wiley   +1 more source

How Advanced Artificial Intelligence Technologies Shape Drug–Drug and Drug–Target Interaction Modeling

Advanced Science, EarlyView.
This review explores the convergence of artificial intelligence technologies in modeling drug–drug and drug–target interactions. By evaluating advanced feature engineering, architectural innovations, and learning paradigms reveals shared evolutionary trends and critical challenges, such as cold‐start settings and shortcut learning.
Xin Sun, Tong Wang
wiley   +1 more source

Impact of Artificial Intelligence in Endodontics: Precision, Predictions, and Prospects

Journal of Medical Signals and Sensors
Artificial intelligence (AI) has become increasingly prevalent and significant across many industries, including the dental field. AI has shown accuracy and precision in detecting, evaluating, and predicting diseases. It can imitate human intelligence to
M. S. Parinitha, Vidya Gowdappa Doddawad, Sowmya Halasabalu Kalgeri, Samyuka S. Gowda, Sahana Patil   +4 more
doaj   +1 more source

Disentangling the relationships between denomination of origin regulatory councils activities and Spanish wineries' export performance

Agribusiness, EarlyView.
Abstract World markets for quality differentiated agri‐food products are highly competitive, presenting significant challenges for firms aiming to compete effectively. Government agencies and business organizations often implement various export promotion policies to address these challenges.
Nicolás Depetris‐Chauvin, Marta Fernández‐Olmos   +1 more
wiley   +1 more source