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Biological and Medicinal Chemistry

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Organic Chemistry

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Theoretical and Computational Chemistry

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Gia-Bao Truong

4 results in Authors: Gia-Bao Truong

Theoretical and Computational Chemistry

SYNERGY OF ADVANCED MACHINE LEARNING AND DEEP NEURAL NETWORKS WITH CONSENSUS MOLECULAR DOCKING FOR ENHANCED POTENCY PREDICTION OF ALK INHIBITORS

The-Chuong Trinh, Tieu-Long Phan, Van-Thinh To, Thanh-An Pham, Gia-Bao Truong, Hoang-Son Le, Xuan-Truc Tran, Tuyen Ngoc Truong

Version 1 posted 05 September 2024

209

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Biological and Medicinal Chemistry

Novel machine learning approach toward classification model of HIV-1 integrase inhibitors

Tieu-Long Phan, Hoang-Son Lai Le, Gia-Bao Truong, The-Chuong Trinh, Van-Thinh To, Phuoc-Chung Van Nguyen, Thanh-An Pham, Tuyen Ngoc Truong

Version 1 posted 18 January 2024

253

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Biological and Medicinal Chemistry

Discovery of VEGFR-2 Inhibitors employing Junction Tree Variational Encoder with Local Latent Space Bayesian Optimization and Gradient Ascent Exploration

Gia-Bao Truong, Thanh-An Pham, Van-Thinh To, Hoang-Son Lai Le, Phuoc-Chung Van Nguyen, The-Chuong Trinh, Tieu-Long Phan, Tuyen Ngoc Truong

Version 1 posted 15 July 2024

564

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Theoretical and Computational Chemistry

KGG: Knowledge-Guided Graph Self-Supervised Learning to Enhance Molecular Property Predictions

Van-Thinh To, Phuoc-Chung Van-Nguyen, Gia-Bao Truong, Tuyet-Minh Phan, Tieu-Long Phan, Rolf Fagerberg, Peter Stadler, Tuyen Truong

Version 1 posted 25 April 2025

139

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