SOTAVerified

Drug Design

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 176–200 of 440 papers

TitleStatusHype
TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency ModelsCode0
SAFE setup for generative molecular design—0
ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design—0
Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development—0
Diversity-Aware Reinforcement Learning for de novo Drug Design—0
Systems-Structure-Based Drug Design—0
Boltzmann-Aligned Inverse Folding Model as a Predictor of Mutational Effects on Protein-Protein Interactions—0
SynthFormer: Equivariant Pharmacophore-based Generation of Synthesizable Molecules for Ligand-Based Drug Design—0
Enhancing Solution Efficiency in Reinforcement Learning: Leveraging Sub-GFlowNet and Entropy Integration—0
Binding Affinity Prediction: From Conventional to Machine Learning-Based Approaches—0
FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling—0
PepINVENT: Generative peptide design beyond the natural amino acids—0
Self-Organizing Maps of Unbiased Ligand-Target Binding Pathways and Kinetics—0
GFlowNet Pretraining with Inexpensive Rewards—0
Quantum-inspired Reinforcement Learning for Synthesizable Drug Design—0
A Perspective on AI-Guided Molecular Simulations in VR: Exploring Strategies for Imitation Learning in Hyperdimensional Molecular Systems—0
Quantitative Prediction of Protein-Polyelectrolyte Binding Thermodynamics: Adsorption of Heparin-Analog Polysulfates to the SARS-CoV-2 Spike Protein RBD—0
Quantum-machine-assisted Drug Discovery: Survey and Perspective—0
Mayer-homology learning prediction of protein-ligand binding affinities—0
Genesis: Towards the Automation of Systems Biology Research—0
Rethinking Molecular Design: Integrating Latent Variable and Auto-Regressive Models for Goal Directed GenerationCode0
Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models—0
GNN-SKAN: Harnessing the Power of SwallowKAN to Advance Molecular Representation Learning with GNNs—0
Vertex-Edge Weighted Molecular Graphs: A study on topological indices and their relevance to physicochemical properties of drugs in use cancer treatment—0
CavDetect: A DBSCAN Algorithm based Novel Cavity Detection Model on Protein Structure—0
Show:102550
← PrevPage 8 of 18Next →

No leaderboard results yet.