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Discovery of Vascular Endothelial Growth Factor Receptor 2 Inhibitors Employing Junction Tree Variational Autoencoder with Bayesian Optimization and Gradient Ascent.
ACS Omega. 2024 Nov 12;9(47):47180-47193. doi: 10.1021/acsomega.4c07689. eCollection 2024 Nov 26.
ACS Omega. 2024.
PMID: 39619551
Free PMC article.
Novel machine learning approach toward classification model of HIV-1 integrase inhibitors.
Phan TL, Trinh TC, To VT, Pham TA, Van Nguyen PC, Phan TM, Truong TN.
Phan TL, et al. Among authors: van nguyen pc.
RSC Adv. 2024 May 2;14(21):14506-14513. doi: 10.1039/d4ra02231a. eCollection 2024 May 2.
RSC Adv. 2024.
PMID: 38708110
Free PMC article.
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Innovative virtual screening of PD-L1 inhibitors: the synergy of molecular similarity, neural networks and GNINA docking.
To VT, Phan TL, Doan BN, Van Nguyen PC, Le QN, Nguyen HH, Trinh TC, Truong TN.
To VT, et al. Among authors: van nguyen pc.
Future Med Chem. 2024;16(20):2107-2118. doi: 10.1080/17568919.2024.2389773. Epub 2024 Sep 4.
Future Med Chem. 2024.
PMID: 39230480
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