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Drug Design

Papers

Showing 226250 of 440 papers

TitleStatusHype
Diverse Mini-Batch Selection in Reinforcement Learning for Efficient Chemical Exploration in de novo Drug Design0
Diversity-Aware Reinforcement Learning for de novo Drug Design0
Dockformer: A transformer-based molecular docking paradigm for large-scale virtual screening0
Docking-based generative approaches in the search for new drug candidates0
Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods0
Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking?0
DrugLLM: Open Large Language Model for Few-shot Molecule Generation0
E2CB2former: Effecitve and Explainable Transformer for CB2 Receptor Ligand Activity Prediction0
EDoG: Adversarial Edge Detection For Graph Neural Networks0
SemlaFlow -- Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching0
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning0
Enhancing Molecular Design through Graph-based Topological Reinforcement Learning0
Enhancing Solution Efficiency in Reinforcement Learning: Leveraging Sub-GFlowNet and Entropy Integration0
Evaluation of GPT and BERT-based models on identifying protein-protein interactions in biomedical text0
Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates0
Explainable Machine Learning and Deep Learning Models for Predicting TAS2R-Bitter Molecule Interactions0
Exploring Gene Regulatory Interaction Networks and predicting therapeutic molecules for Hypopharyngeal Cancer and EGFR-mutated lung adenocarcinoma0
Extracting Interpretable Logic Rules from Graph Neural Networks0
Learning to Detect Critical Nodes in Sparse Graphs via Feature Importance Awareness0
FfDL : A Flexible Multi-tenant Deep Learning Platform0
FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling0
Force spectroscopy in studying infection0
Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models0
Frequent Itemset-driven Search for Finding Minimum Node Separators in Complex Networks0
FRnet-DTI: Deep Convolutional Neural Networks with Evolutionary and Structural Features for Drug-Target Interaction0
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