SOTAVerified

Drug Design

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 201–250 of 440 papers

TitleStatusHype
Reinforcement Learning for Personalized Drug Discovery and Design for Complex Diseases: A Systems Pharmacology Perspective—0
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design—0
Representation Learning on Graphs: Methods and Applications—0
Research and development of MolAICal for drug design via deep learning and classical programming—0
Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion—0
Retro Drug Design: From Target Properties to Molecular Structures—0
RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design—0
Retro-prob: Retrosynthetic Planning Based on a Probabilistic Model—0
Rigidity strengthening is a vital mechanism for protein-ligand binding—0
SAFE setup for generative molecular design—0
Scaffold-constrained molecular generation—0
ScatterSample: Diversified Label Sampling for Data Efficient Graph Neural Network Learning—0
Evaluating Molecule Synthesizability via Retrosynthetic Planning and Reaction Prediction—0
Self-Organizing Maps of Unbiased Ligand-Target Binding Pathways and Kinetics—0
Semi-Supervised GCN for learning Molecular Structure-Activity Relationships—0
Shape Complementarity Analysis for Objects of Arbitrary Shape—0
Shape-conditioned 3D Molecule Generation via Equivariant Diffusion Models—0
ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design—0
Spherical Distance Metrics Applied to Protein Structure Classification—0
Stabilizing Policy Gradients for Stochastic Differential Equations via Consistency with Perturbation Process—0
StriderNET: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes—0
STRIDE: Structure-guided Generation for Inverse Design of Molecules—0
Structural insights into characterizing binding sites in EGFR kinase mutants—0
Structure-aware generation of drug-like molecules—0
Structure-Based Drug Design via 3D Molecular Generative Pre-training and Sampling—0
Structure-based drug design with geometric deep learning—0
Surveying the side-chain network approach to protein structure and dynamics: The SARS-CoV-2 spike protein as an illustrative case—0
SynerGPT: In-Context Learning for Personalized Drug Synergy Prediction and Drug Design—0
Synthesis-driven design of 3D molecules for structure-based drug discovery using geometric transformers—0
SynthFormer: Equivariant Pharmacophore-based Generation of Synthesizable Molecules for Ligand-Based Drug Design—0
Systems-Structure-Based Drug Design—0
Targets of drugs are generally, and targets of drugs having side effects are specifically good spreaders of human interactome perturbations—0
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models—0
Template-Guided 3D Molecular Pose Generation via Flow Matching and Differentiable Optimization—0
GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks—0
tFold-TR: Combining Deep Learning Enhanced Hybrid Potential Energy for Template-Based Modeling Structure Refinement—0
The known unknowns of the Hsp90 chaperone—0
The recent advances in the mathematical modelling of human pluripotent stem cells—0
The Structural Biology and Critical Evaluation of Bacterial Proteases as Targets in New Drug Design—0
Token-Mol 1.0: Tokenized drug design with large language model—0
Towards Efficient Molecular Property Optimization with Graph Energy Based Models—0
Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling—0
Hybrid quantum-classical machine learning for generative chemistry and drug design—0
TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design—0
Transfer Learning for Bayesian Optimization: A Survey—0
Transformative Machine Learning—0
Two for the Price of One: Integrating Large Language Models to Learn Biophysical Interactions—0
Understanding of Genetic Code Degeneracy and New Way of Classifying of Protein Family: A Mathematical Approach—0
Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models—0
Unified Guidance for Geometry-Conditioned Molecular Generation—0
Show:102550
← PrevPage 5 of 9Next →

No leaderboard results yet.