Graph Neural Networks for Polymer Characterization and Property Prediction: Opportunities and Challenges. [PDF]
Medina H, Drake R.
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Geometry-based BERT: An experimentally validated deep learning model for molecular property prediction in drug discovery. [PDF]
Zhang X +7 more
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SHARP: Generating Synthesizable Molecules via Fragment-Based Hierarchical Action-Space Reinforcement Learning for Pareto Optimization. [PDF]
Kim J +5 more
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Predicting PROTAC off-target effects via warhead involvement levels in drug-target interactions using graph attention neural networks. [PDF]
Hu Y, Didi K, Cribbs AP, Sun J.
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ForMileS: A Python Open-Source Program to Generate Molecular Structures for Tandem Mass Spectrometry Fragment Ions. [PDF]
Kuchenbecker V, Morgon NH.
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Multi-MoleScale: a multi-scale approach for molecular property prediction with graph contrastive and sequence learning. [PDF]
Lou X, Cai J, Siu SWI.
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Multi-Conformation Enhanced Equivariant Graph Neural Network: Advancing Melting Point Prediction Accuracy for Organic Small Molecules. [PDF]
Huang T +5 more
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An edge sensitivity based gradient attack on graph isomorphic networks for graph classification problems. [PDF]
Srinivasan S, OmKumar C.
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Life table variations in <i>Wolbachia</i>-transinfected (<i>w</i>Mel & <i>w</i>AlbB strains) and uninfected <i>Aedes aegypti</i>: the role of various larval diets. [PDF]
Gunasekaran Y +5 more
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