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Drug Design

Papers

Showing 376400 of 440 papers

TitleStatusHype
ImmunoLingo: Linguistics-based formalization of the antibody language0
Improving Molecular Graph Generation with Flow Matching and Optimal Transport0
Improving Targeted Molecule Generation through Language Model Fine-Tuning Via Reinforcement Learning0
Infinite Physical Monkey: Do Deep Learning Methods Really Perform Better in Conformation Generation?0
In Silico Approaches to Deliver Better Antibodies by Design: The Past, the Present and the Future0
Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows0
InteractionNet: Modeling and Explaining of Noncovalent Protein-Ligand Interactions with Noncovalent Graph Neural Network and Layer-Wise Relevance Propagation0
Interactivity: the missing link between virtual reality technology and drug discovery pipelines0
Interpretable Multimodal Learning for Tumor Protein-Metal Binding: Progress, Challenges, and Perspectives0
Exploring Data-Driven Chemical SMILES Tokenization Approaches to Identify Key Protein-Ligand Binding Moieties0
Inverted repeats in coronavirus SARS-CoV-2 genome and implications in evolution0
Knowledge-aware contrastive heterogeneous molecular graph learning0
Knowledge-based machine learning methods for macromolecular 3D structure prediction0
Knowledge graph-enhanced molecular contrastive learning with functional prompt0
Knowledge Guided Geometric Editing for Unsupervised Drug Design0
Language models in molecular discovery0
Lattice Protein Folding with Variational Annealing0
Learning of signaling networks: molecular mechanisms0
Learning Protein Dynamics with Metastable Switching Systems0
Learning to design drug-like molecules in three-dimensional space using deep generative models0
Learning to Search for Fast Maximum Common Subgraph Detection0
Learning to SMILE(S)0
Leveraging Active Subspaces to Capture Epistemic Model Uncertainty in Deep Generative Models for Molecular Design0
Leveraging Latent Evolutionary Optimization for Targeted Molecule Generation0
Leveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks0
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