Bioinformatics | Pharmacology MIFNN: Molecular Information Feature Extraction and Fusion Deep Neural Network for Screening Potential Drugs. November 24, 2022
Bioinformatics | Pharmaceutical Sciences A fingerprints based molecular property prediction method using the BERT model. October 25, 2022
Chemistry | Pharmaceutical Sciences Improving molecular property prediction through a task similarity enhanced transfer learning strategy. October 25, 2022
Chemistry | Pharmacology MolRoPE-BERT: An enhanced molecular representation with Rotary Position Embedding for molecular property prediction. October 15, 2022
Biology | Chemistry | Pharmacology FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction. September 20, 2022
Chemistry | Drug Discovery | Machine Learning | Pharmaceuticals Knowledge-based BERT: a method to extract molecular features such as computational chemists. April 19, 2022
Computational Chemistry | Drug Discovery An efficient curriculum learning-based strategy for molecular graph learning. April 3, 2022
Computational Chemistry Flexible Dual-Branched Message-Passing Neural Network for a Molecular Property Prediction. February 14, 2022
Computer Science | Pharmaceutical Sciences A compact review of molecular property prediction with graph neural networks. December 13, 2021
Chemistry | Material Science Knowledge-Embedded Message-Passing Neural Networks: Improving Molecular Property Prediction with Human Knowledge. November 1, 2021
Biology | Chemistry DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life Science. October 25, 2021
Chemoinformatics | Pharmaceutical Sciences A general optimization protocol for molecular property prediction using a deep learning network. September 9, 2021