Bioinformatics | Chemical Biology | Computational Chemistry Composite Graph Neural Networks for Molecular Property Prediction. June 27, 2024
Drug Discovery | Pharmacology Synergizing Chemical Structures and Bioassay Descriptions for Enhanced Molecular Property Prediction in Drug Discovery. June 5, 2024
Bioinformatics | Chemoinformatics | Computational Chemistry MolPROP: Molecular Property prediction with multimodal language and graph fusion. May 22, 2024
Drug Discovery | Pharmaceutical Sciences Enhancing Molecular Property Prediction through Task-Oriented Transfer Learning: Integrating Universal Structural Insights and Domain-Specific Knowledge. May 15, 2024
Biochemistry | Bioinformatics | Drug Discovery Multimodal fused deep learning for drug property prediction: Integrating chemical language and molecular graph. April 29, 2024
Drug Discovery | Machine Learning | Pharmacology Property-guided few-shot learning for molecular property prediction with dual-view encoder and relation graph learning network. March 27, 2024
Computational Chemistry | Drug Discovery LGGA-MPP: Local Geometry-Guided Graph Attention for Molecular Property Prediction. March 22, 2024
Bioinformatics | Machine Learning | Pharmaceutical Sciences AEGNN-M:A 3D Graph-Spatial Co-Representation Model for Molecular Property Prediction. February 22, 2024
Drug Discovery | Molecular Biology INTransformer: Data augmentation-based contrastive learning by injecting noise into transformer for molecular property prediction. January 16, 2024
Bioinformatics | Computational Chemistry | Drug Discovery | Pharmacology A deep learning framework for predicting molecular property based on multi-type features fusion. December 31, 2023
Biomedical imaging | Drug design | Molecular Biology Dual-View Learning Based on Images and Sequences for Molecular Property Prediction. December 28, 2023
Other Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction. November 8, 2023