Multimodal Molecular LLM with Improved Graph Utilization
Sungwoong Kim +8 more
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On the harmonic index of bicyclic conjugated molecular graphs
, 2014 Yan Zhu, Renying Chang
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Constrained generation of molecular graphs [PDF]
, 2007 Reinhard Laue +3 more
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Two-step hierarchical assignments on molecular graphs [PDF]
, 2009 Andreas Jahn +3 more
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Enhancing property and activity prediction and interpretation using multiple molecular graph representations with MMGX. [PDF]
Commun ChemKengkanna A, Ohue M.
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Multimodal fused deep learning for drug property prediction: Integrating chemical language and molecular graph. [PDF]
Comput Struct Biotechnol JLu X, Xie L, Xu L, Mao R, Xu X, Chang S.
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Chemi-Net: A Molecular Graph Convolutional Network for Accurate Drug Property Prediction. [PDF]
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Pre-training Graph Neural Networks on 2D and 3D Molecular Structures by using Multi-View Conditional Information Bottleneck [PDF]
Hoang, Van Thuy, Lee, O-Joun
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Performance and robustness of small molecule retention time prediction with molecular graph neural networks in industrial drug discovery campaigns. [PDF]
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Molecular graph convolutions: moving beyond fingerprints. [PDF]
J Comput Aided Mol Des, 2016 Kearnes S +4 more
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