Results 211 to 220 of about 327,247 (251)

Artificial intelligence-driven drug discovery: a deep learning paradigm shift in pharmaceutical research and development. [PDF]

Front Pharmacol
Bi X, Wang Y, Wang J, Liu C.
europepmc   +1 more source

Systems Pharmacology and Multitarget Modulation of Letrozole–HFD‐Induced Polycystic Ovarian Syndrome by Fruit Pulp of Prunus armeniaca

Chemistry &Biodiversity, Volume 23, Issue 10, October 2026.
Integrated systems pharmacology and in vivo evaluation reveal that hydroalcoholic extract of fruit pulp of Prunus armeniaca (HAE of FPPA) ameliorates letrozole–HFD‐induced PCOS through multitarget modulation. Network analysis identifies 105 shared targets enriched in PI3K/Akt, MAPK, HIF‐1, and inflammatory pathways, while treatment improves hormonal ...
Ratna Priya, Nitish Singh Jangwan, Swati Dobhal, Shradha Bisht, Mamta F. Singh   +4 more
wiley   +1 more source

Experimental and Pharmacoinformatic Studies Reveal Allium cepa L. Extract‐Mediated Modulation of Hepatitis B Virus Associated Inflammatory Pathways via Quercetin Glucoside Derivatives

Chemistry &Biodiversity, Volume 23, Issue 10, October 2026.
HBV infection causes chronic inflammation, fibrosis, and hepatocellular carcinoma despite effective antiviral therapy. This study evaluated methanolic Allium cepa extract using in vitro and computational approaches. The extract reduced HBsAg and HBeAg, enhanced Tenofovir alafenamide activity, and modulated inflammatory markers.
Swarup S. Gujarathi, Darasaguppe R. Harish, Vishal S. Patil, Adilmehadi Karikazi, Faizan A. Beerwala, Jagdish Chand, Gaurav Kumar Sahu, Sunil S. Jalalpure   +7 more
wiley   +1 more source

Machine learning for smell: ordinal odor strength prediction of molecular perfumery components. [PDF]

RSC Adv
Fichtelmann P, Westermayr J.
europepmc   +1 more source

AutoVap: An Interactive Machine Learning Tool for Predicting the Standard Enthalpy of Vaporization

Chemie Ingenieur Technik, Volume 98, Issue 10, Page 650-655, October 2026.
AutoVap (https://autovap.jfcaetano.com) is a web app that predicts ΔvapHm° from SMILES using an RDKit‐based ML model, giving accurate, interpretable results with uncertainty across diverse molecules. ABSTRACT This communication introduces AutoVap (https://autovap.jfcaetano.com), an interactive web application for predicting the standard molar enthalpy ...
José Ferraz‐Caetano
wiley   +1 more source

Improving hERG Cardiotoxicity Prediction via SMILES Transformer, Molecular Fingerprints, and Layer-Wise Self-Adaptive Graph Attention Network. [PDF]

ACS Omega
Beidja C, Bousselham A, En-Naimani Z, Mestari M.   +3 more
europepmc   +1 more source

Explore the Mechanism of Xiaoyaosan for Treatment of Bipolar Disorder Based on Network Pharmacology, Experimental Validation and Molecular Docking

CNS Neuroscience &Therapeutics, Volume 32, Issue 10, October 2026.
This study evaluates Xiaoyaosan (XYS) for bipolar disorder (BD) using network pharmacology and experimental validation. Molecular docking reveals interactions between active XYS compounds and potential core targets. Animal experiments confirm XYS alleviates BD‐like behaviors in mice by suppressing core targets, elucidating its multi‐target mechanism ...
Man Chen, Nana Ding, Xingmin Qiu, Lan Li, Yali Guo, Rongyanqi Wang, Xiaowei Mo, Tan Zou, Shangzhen Yu, Xiaojuan Li, Jiaxu Chen   +10 more
wiley   +1 more source

Shaking and pushing skyrmions: Formation of a nonequilibrium phase with zero critical current. [PDF]

Proc Natl Acad Sci U S A
Rucker F, Bezvershenko A, Mettus D, Bauer A, Garst M, Rosch A, Pfleiderer C.   +6 more
europepmc   +1 more source