SOTAVerified

Drug Design

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 351–400 of 440 papers

TitleStatusHype
Persistent spectral based machine learning (PerSpect ML) for drug design—0
Pharmacophore-Conditioned Diffusion Model for Ligand-Based De Novo Drug Design—0
Pharmacophore-guided de novo drug design with diffusion bridge—0
Pharmacoprint -- a combination of pharmacophore fingerprint and artificial intelligence as a tool for computer-aided drug design—0
Phen-DC 3 Induces Refolding of Human Telomeric DNA into a Chair-Type Antiparallel G-Quadruplex through Ligand Intercalation—0
PILOT: Equivariant diffusion for pocket conditioned de novo ligand generation with multi-objective guidance via importance sampling—0
PlayMolecule Viewer: a toolkit for the visualization of molecules and other data—0
PointGAT: A quantum chemical property prediction model integrating graph attention and 3D geometry—0
Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks—0
Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks—0
Prediction of protein allosteric signalling pathways and functional residues through paths of optimised propensity—0
PrefixMol: Target- and Chemistry-aware Molecule Design via Prefix Embedding—0
Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation—0
Pre-training of Graph Neural Network for Modeling Effects of Mutations on Protein-Protein Binding Affinity—0
Probabilistic thermal stability prediction through sparsity promoting transformer representation—0
Protein-protein docking using a tensor train black-box optimization method—0
Pushing the boundaries of Structure-Based Drug Design through Collaboration with Large Language Models—0
Quadratic unconstrained binary optimization and constraint programming approaches for lattice-based cyclic peptide docking—0
Quantitative Prediction of Protein-Polyelectrolyte Binding Thermodynamics: Adsorption of Heparin-Analog Polysulfates to the SARS-CoV-2 Spike Protein RBD—0
Quantum-Inspired Machine Learning for Molecular Docking—0
Quantum-inspired Reinforcement Learning for Synthesizable Drug Design—0
Quantum-machine-assisted Drug Discovery: Survey and Perspective—0
ReactIE: Enhancing Chemical Reaction Extraction with Weak Supervision—0
Realistic molecule optimization on a learned graph manifold—0
Recognition of potential Covid-19 drug treatments through the study of existing protein-drug and protein-protein structures: an analysis of kinetically active residues—0
Rectified Flow For Structure Based Drug Design—0
Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge—0
Reimagining Target-Aware Molecular Generation through Retrieval-Enhanced Aligned Diffusion—0
REINFORCE-ING Chemical Language Models in Drug Design—0
Multi-Objective De Novo Drug Design with Conditional Graph Generative ModelCode0
Mol-MoE: Training Preference-Guided Routers for Molecule GenerationCode0
Utilizing Reinforcement Learning for de novo Drug DesignCode0
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to MoleculesCode0
DeeperBind: Enhancing Prediction of Sequence Specificities of DNA Binding ProteinsCode0
NovoMol: Recurrent Neural Network for Orally Bioavailable Drug Design and Validation on PDGFRα ReceptorCode0
Molecular Graph Contrastive Learning with Line GraphCode0
Vector Optimization with Gaussian Process BanditsCode0
Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug designCode0
From Theory to Therapy: Reframing SBDD Model Evaluation via Practical MetricsCode0
ResAtom System: Protein and Ligand Affinity Prediction Model Based on Deep LearningCode0
DeepAtom: A Framework for Protein-Ligand Binding Affinity PredictionCode0
Rethinking Molecular Design: Integrating Latent Variable and Auto-Regressive Models for Goal Directed GenerationCode0
Towards Cross-Modal Text-Molecule Retrieval with Better Modality AlignmentCode0
SVSBI: Sequence-based virtual screening of biomolecular interactionsCode0
Pathway-Guided Optimization of Deep Generative Molecular Design Models for Cancer TherapyCode0
A Comparative Analysis of the Ensemble Methods for Drug DesignCode0
M2oE: Multimodal Collaborative Expert Peptide ModelCode0
Peptipedia: a comprehensive database for peptide research supported by Assembled predictive models and Data Mining approachesCode0
Curiosity as a Self-Supervised Method to Improve Exploration in De novo Drug DesignCode0
Towards Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-based Convolutional EncodersCode0
Show:102550
← PrevPage 8 of 9Next →

No leaderboard results yet.