Bioinformatics | Chemoinformatics | Pharmaceutical Sciences A New Fingerprint and Graph Hybrid Neural Network for Predicting Molecular Properties. July 25, 2024
Bioinformatics | Machine Learning | Pharmacology Hierarchical multimodal self-attention-based graph neural network for DTI prediction. June 26, 2024
Biochemistry | Bioinformatics | Drug Discovery Multimodal fused deep learning for drug property prediction: Integrating chemical language and molecular graph. April 29, 2024
Chemical Engineering | Chemistry | Machine Learning Prediction of chemical reaction yields with large-scale multi-view pre-training. February 25, 2024
Computational Biology | Oncology | Personalized Medicine GPDRP: a multimodal framework for drug response prediction with graph transformer. December 17, 2023
Bioinformatics | Pharmacology An improved multi-modal representation-learning model based on fusion networks for property prediction in drug discovery. September 10, 2023
Chemistry | Machine Learning | Materials Science Geometric Deep Learning for Molecular Crystal Structure Prediction. April 13, 2023
Medicinal Chemistry | Pharmacology Co-Model for Chemical Toxicity Prediction Based on Multi-task Deep Learning. February 1, 2023
Pharmacology Multi-type feature fusion based on graph neural network for drug-drug interaction prediction. June 10, 2022
Chemoinformatics | Pharmacology | Systems Biology Trends in Deep Learning for Property-driven Drug Design. July 30, 2021