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Drug Design

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Showing 226–250 of 440 papers

TitleStatusHype
Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria—0
Diffusing on Two Levels and Optimizing for Multiple Properties: A Novel Approach to Generating Molecules with Desirable Properties—0
Diffusion Models in De Novo Drug Design—0
Direct Coupling Analysis of Epistasis in Allosteric Materials—0
Diverse Mini-Batch Selection in Reinforcement Learning for Efficient Chemical Exploration in de novo Drug Design—0
Diversity-Aware Reinforcement Learning for de novo Drug Design—0
Dockformer: A transformer-based molecular docking paradigm for large-scale virtual screening—0
Docking-based generative approaches in the search for new drug candidates—0
Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods—0
Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking?—0
DrugLLM: Open Large Language Model for Few-shot Molecule Generation—0
E2CB2former: Effecitve and Explainable Transformer for CB2 Receptor Ligand Activity Prediction—0
EDoG: Adversarial Edge Detection For Graph Neural Networks—0
SemlaFlow -- Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching—0
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning—0
Enhancing Molecular Design through Graph-based Topological Reinforcement Learning—0
Enhancing Solution Efficiency in Reinforcement Learning: Leveraging Sub-GFlowNet and Entropy Integration—0
Evaluation of GPT and BERT-based models on identifying protein-protein interactions in biomedical text—0
Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates—0
Explainable Machine Learning and Deep Learning Models for Predicting TAS2R-Bitter Molecule Interactions—0
Exploring Gene Regulatory Interaction Networks and predicting therapeutic molecules for Hypopharyngeal Cancer and EGFR-mutated lung adenocarcinoma—0
Extracting Interpretable Logic Rules from Graph Neural Networks—0
Learning to Detect Critical Nodes in Sparse Graphs via Feature Importance Awareness—0
Federated Discrete Denoising Diffusion Model for Molecular Generation with OpenFL—0
FfDL : A Flexible Multi-tenant Deep Learning Platform—0
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