| Diverse Mini-Batch Selection in Reinforcement Learning for Efficient Chemical Exploration in de novo Drug Design | Jun 26, 2025 | Drug DesignDrug Discovery | —Unverified | 0 |
| Diversity-Aware Reinforcement Learning for de novo Drug Design | Oct 14, 2024 | DiversityDrug Design | —Unverified | 0 |
| Dockformer: A transformer-based molecular docking paradigm for large-scale virtual screening | Nov 11, 2024 | Drug DesignMolecular Docking | —Unverified | 0 |
| Docking-based generative approaches in the search for new drug candidates | Nov 22, 2023 | Drug DesignMolecular Docking | —Unverified | 0 |
| Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods | Oct 14, 2023 | Drug DesignMolecular Docking | —Unverified | 0 |
| Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking? | Feb 14, 2023 | Deep LearningDrug Design | —Unverified | 0 |
| DrugLLM: Open Large Language Model for Few-shot Molecule Generation | May 7, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| E2CB2former: Effecitve and Explainable Transformer for CB2 Receptor Ligand Activity Prediction | Feb 15, 2025 | Activity PredictionDrug Design | —Unverified | 0 |
| EDoG: Adversarial Edge Detection For Graph Neural Networks | Dec 27, 2022 | Drug DesignEdge Detection | —Unverified | 0 |
| SemlaFlow -- Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching | Jun 11, 2024 | 3D GenerationDrug Design | —Unverified | 0 |
| Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning | May 5, 2025 | Drug DesignDrug Discovery | —Unverified | 0 |
| Enhancing Molecular Design through Graph-based Topological Reinforcement Learning | Nov 22, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| Enhancing Solution Efficiency in Reinforcement Learning: Leveraging Sub-GFlowNet and Entropy Integration | Oct 1, 2024 | Computational EfficiencyDiversity | —Unverified | 0 |
| Evaluation of GPT and BERT-based models on identifying protein-protein interactions in biomedical text | Mar 30, 2023 | Drug DesignLiterature Mining | —Unverified | 0 |
| Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates | May 6, 2020 | Drug Design | —Unverified | 0 |
| Explainable Machine Learning and Deep Learning Models for Predicting TAS2R-Bitter Molecule Interactions | Jun 21, 2024 | Drug DesignExplainable Models | —Unverified | 0 |
| Exploring Gene Regulatory Interaction Networks and predicting therapeutic molecules for Hypopharyngeal Cancer and EGFR-mutated lung adenocarcinoma | Feb 27, 2024 | Drug Design | —Unverified | 0 |
| Extracting Interpretable Logic Rules from Graph Neural Networks | Mar 25, 2025 | Drug DesignDrug Discovery | —Unverified | 0 |
| Learning to Detect Critical Nodes in Sparse Graphs via Feature Importance Awareness | Dec 3, 2021 | Drug DesignFeature Importance | —Unverified | 0 |
| FfDL : A Flexible Multi-tenant Deep Learning Platform | Sep 14, 2019 | Deep LearningDrug Design | —Unverified | 0 |
| FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling | Sep 29, 2024 | Data AugmentationDrug Design | —Unverified | 0 |
| Force spectroscopy in studying infection | May 25, 2016 | Drug Design | —Unverified | 0 |
| Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models | Aug 19, 2024 | Drug Design | —Unverified | 0 |
| Frequent Itemset-driven Search for Finding Minimum Node Separators in Complex Networks | Jan 18, 2022 | Drug DesignManagement | —Unverified | 0 |
| FRnet-DTI: Deep Convolutional Neural Networks with Evolutionary and Structural Features for Drug-Target Interaction | Jun 19, 2018 | Drug DesignPrediction | —Unverified | 0 |