Integration of machine learning in 3D-QSAR CoMSIA models for the identification of lipid antioxidant peptides. [PDF]
RSC Adv, 2023 Nha Tran TT, Thuan Tran TD, Thuy Bui TT.
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The course includes the full framework for coming up with AI processing workflows, understanding why and how 3D can extend 2D approaches, developing and testing 3D Deep Learning Models, getting quickly working models on various OS, building your own ...
Poux, Florent
core
3D-QSAR study for the development of chalcone-based inhibitors targeting ovarian cancer cells with experimental validation. [PDF]
Front PharmacolValenzuela-Valderrama M +7 more
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Discovery of New 7-Propanamide Benzoxaborole as Potent Anti-SKOV3 Agent via 3D-QSAR Models. [PDF]
Int J Mol SciJi L, Zhang J, Zhou H, Zhao Y.
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3D-QSAR Analyses of Melatonin Antagonists [PDF]
Acta Physico-Chimica Sinica, 2002 Zhu Li-Li, Xu Xiao-Jie
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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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In Silico Discovery of ABZI Nitrogen Heterocycle STING Agonists via 3D-QSAR, Molecular Dynamics, and AI-Based Synthesis Prediction. [PDF]
Pharmaceuticals (Basel)Ren H +5 more
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Potent VEGFR-2 inhibitors for resistant breast cancer: a comprehensive 3D-QSAR, ADMET, molecular docking and MMPBSA calculation on triazolopyrazine derivatives. [PDF]
Front Mol Biosci, 2023 Baammi S, El Allali A, Daoud R.
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Based on 3D-QSAR modeling and molecular dynamics of novel peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 inhibitors design and screening. [PDF]
Medicine (Baltimore)Xu D, Li J, Li Y, Dou J.
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Active Learning FEP Using 3D-QSAR for Prioritizing Bioisosteres in Medicinal Chemistry. [PDF]
ACS Med Chem LettRamaswamy VK, Habgood M, Mackey MD.
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