Network pharmacology-based identification of potential drug targets and bioactive compounds in Lycii Fructus (Gouqizi) for the therapeutics of Parkinson's disease. [PDF]
Front PharmacolAl Hashmi S, Tahir RA, Sehgal SA.
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In Silico Development of Novel Quinazoline-Based EGFR Inhibitors via 3D-QSAR, Docking, ADMET, and Molecular Dynamics. [PDF]
Int J Mol SciMoussaoui M +10 more
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Designing Novel Compound Candidates Against SARS-CoV-2 Using Generative Deep Neural Networks and Cheminformatics. [PDF]
Int J Mol SciLi SY, Hung CM, Hung HY, Lai CW, Lee MC.
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In silico evaluation of (benzo)chromeno[3,4-c]pyridine derivative as dual EGFR/HER2 inhibitors for non-small cell lung cancer. [PDF]
Sci RepLuke U, Emeng IE, Gber NI, Iyam SO.
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Exploring the mechanisms of Benzo[a]pyrene-induced lung adenocarcinoma based on network toxicology and machine learning. [PDF]
BMC Pharmacol ToxicolWang Z +7 more
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Unified and explainable molecular representation learning for imperfectly annotated data from the hypergraph view. [PDF]
Nat CommunWang B +13 more
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ZnO-modified carbon paste electrode for electrochemical sensing of dopamine in the presence of tyrosine. [PDF]
ADMET DMPKImarah AO, Hasan N, Alabbasi MG.
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Computational prioritization of multi-target inhibitors: explainable QSAR and docking-based discovery of dual AChE/BACE1 chemotypes. [PDF]
J Comput Aided Mol DesBozkır İ +3 more
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Correction to: Computational toxicology in drug discovery: applications of artificial intelligence in ADMET and toxicity prediction. [PDF]
Brief Bioinformeuropepmc +1 more source