Results 121 to 130 of about 11,164 (213)

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

Advanced Science, EarlyView.
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su, Xitao Wang, Musen Li, Guanhua Qin, Shunbo Hu, Tong‐Yi Zhang   +5 more
wiley   +1 more source

Age-Related Clinical Agreement Between Noncycloplegic Autorefraction and Subjective Refraction: A Power-Vector Analysis. [PDF]

J Ophthalmol
Candan O, Saglam I, Orman G, Unlu N, Burcu A.   +4 more
europepmc   +1 more source

Data‐Driven Discovery of Unconventional Antiferromagnets

Advanced Science, EarlyView.
A high‐throughput workflow that combines the physics‐informed pre‐screening, high‐throughput exchange calculations, Luttinger‐Tisza analysis and symmetry classification is established for accurate identification of unconventional antiferromagnets from the broad structural database.
Qirui Cui, Chenxu Liu, Anna Delin, Kaiyou Wang   +3 more
wiley   +1 more source

Machine Learning-Enhanced Quantitative Structure-Activity Relationship Modeling for DNA Polymerase Inhibitor Discovery: Algorithm Development and Validation. [PDF]

JMIR AI
Kakraba S, Ayyadevara S, Yadem Clement A, Abraham KE, Compadre CM, Shmookler Reis RJ.   +5 more
europepmc   +1 more source

Interference of ATP‐Binding Cassette Transporter by Functional Nano‐Delivery System for High Efficiency Management of Insecticide‐Resistant Nilaparvata lugens

Advanced Science, EarlyView.
A ZIF‐90 nanocarrier delivers dinotefuran and suppresses NlABCG3 and NlABCH1 in resistant Nilaparvata lugens. This system combines pH/ATP‐triggered release with enhanced foliar retention, improving efficacy while sparing honeybees and promoting rice growth, offering a promising resistance‐breaking strategy.
Chengshuai He, Hejun Ren, Shuo Zhang, Jikang Cheng, Hui Zhang, Jiao Liu, Sijie Wang, Congfen Gao, Yanchao Zhang, Yunhao Gao   +9 more
wiley   +1 more source

TSTScope Unifies Single‐Cell Multi‐Omics to Identify Functional T Cell States Predictive of Immunotherapy Response

Advanced Science, EarlyView.
TSTScope is an interpretable AI framework that integrates single‐cell transcriptomes with TCR information through curated gene‐program constraints. By linking receptor context to functional T cell states, it reveals response‐associated tumor‐specific T cell programs in lung cancer immunotherapy cohorts and defines an MPR score associated with ...
Shiwei Cao, Jinyu Cheng, Feng‐ao Wang, Chenxin Yi, Jiajun Chen, Keyue Wang, Lulu Liu, Junwei Liu, Yixue Li   +8 more
wiley   +1 more source

ChatGPT's performance in sample size estimation: a preliminary study on the capabilities of artificial intelligence. [PDF]

Fam Pract
Sebo P, Wang T.
europepmc   +1 more source

Quantum‐Like Dynamics in Whole‐Brain Models of the Human Connectome

Advanced Science, EarlyView.
Quantum‐like dynamics in the human brain. The level of quantum‐like behavior in a non‐quantum system of coupled oscillators is regulated by the spectral gap of the coupling graph. Whole‐brain modelling using QL fits the empirical data significantly better and has a lower model‐derived energy cost than the non‐QL model.
Gustavo Deco, Yonatan Sanz Perl, Natasha Greenstein, Shamil Chandaria, Gregory Scholes, Morten L. Kringelbach   +5 more
wiley   +1 more source

Accelerating Discovery of Leukemia Inhibitors Using AI-Driven Quantitative Structure-Activity Relationship: Algorithm Development and Validation. [PDF]

JMIR AI
Kakraba S, Agyemang EF, Shmookler Reis RJ.   +2 more
europepmc   +1 more source

Computationally Evidence‐Grounded Sequence‐First Design of Peptide Binders

Advanced Science, EarlyView.
BOND‐PEP enables controllable, sequence‐first peptide binder design by grounding generation in binding evidence retrieved for each target. It uses topology‐conditioned message passing to integrate relevant peptide examples with the target protein sequence, forming a residue‐level representation that guides the generation of diverse, target‐specific ...
Wenze Ding
wiley   +1 more source