Quang H. Trinh

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From SMILES to Enhanced Molecular Property Prediction: A Unified Multimodal Framework with Predicted 3D Conformers and Contrastive Learning Techniques

Dec 6, 2024 | pubs.acs.org | Long Nguyen |Long Nguyễn |Quang Nguyen |Bình Nguyên |Quang H. Trinh

IntroductionClick to copy section linkSection link copied!Contributing immeasurably to human health, drug discovery and development is a complex, expensive, and time-consuming endeavor that typically takes more than 10 years and costs 2.8 billion USD on average for a new drug. (1) Recently, the advent of deep learning has revolutionized this process by enhancing the ability to learn molecular representations from large data sets.
From SMILES to Enhanced Molecular Property Prediction: A Unified Multimodal Framework with Predicted 3D Conformers and Contrastive Learning Techniques

Dec 6, 2024 | dx.doi.org | Long Nguyen |Long Nguyễn |Quang Nguyen |Quang H. Trinh |Bình Nguyên

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