SOTAVerified

Drug Design

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 351–400 of 440 papers

TitleStatusHype
Calotropin from milk of Calotropis gigantean a potent inhibitor of COVID 19 corona virus infection by Molecular docking studies—0
A Comparative Analysis of the Ensemble Methods for Drug DesignCode0
Dr-COVID: Graph Neural Networks for SARS-CoV-2 Drug RepurposingCode0
RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design—0
Inverted repeats in coronavirus SARS-CoV-2 genome and implications in evolution—0
Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug designCode0
Investigating 3D Atomic Environments for Enhanced QSARCode1
Scaffold-constrained molecular generation—0
Surveying the side-chain network approach to protein structure and dynamics: The SARS-CoV-2 spike protein as an illustrative case—0
Pre-training of Graph Neural Network for Modeling Effects of Mutations on Protein-Protein Binding Affinity—0
Graph-convolution neural network-based flexible docking utilizing coarse-grained distance matrix—0
Hopfield Networks is All You NeedCode2
Multiscale Simulations of Complex Systems by Learning their Effective DynamicsCode1
We Should at Least Be Able to Design Molecules That Dock WellCode1
A Workflow for Exploring Ligand Dissociation from a Macromolecule: Efficient Random Acceleration Molecular Dynamics Simulation and Interaction Fingerprints Analysis of Ligand TrajectoriesCode1
Self-Supervised Graph Transformer on Large-Scale Molecular DataCode1
Research and development of MolAICal for drug design via deep learning and classical programming—0
Sample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted RetrainingCode1
Drug–target affinity prediction using graph neural network and contact mapsCode1
InteractionNet: Modeling and Explaining of Noncovalent Protein-Ligand Interactions with Noncovalent Graph Neural Network and Layer-Wise Relevance Propagation—0
Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates—0
Computing Absolute Free Energy with Deep Generative Models—0
Molecular Design in Synthetically Accessible Chemical Space via Deep Reinforcement Learning—0
Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement LearningCode1
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
Molecular docking studies on Jensenone from eucalyptus essential oil as a potential inhibitor of COVID 19 corona virus infection—0
Continuous Representation of Molecules Using Graph Variational Autoencoder—0
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models—0
Application and Assessment of Deep Learning for the Generation of Potential NMDA Receptor Antagonists—0
Direct Coupling Analysis of Epistasis in Allosteric Materials—0
Old Drugs for Newly Emerging Viral Disease, COVID-19: Bioinformatic Prospective—0
A Deep Generative Model for Fragment-Based Molecule GenerationCode0
Multi-Objective Molecule Generation using Interpretable SubstructuresCode2
Persistent spectral based machine learning (PerSpect ML) for drug design—0
Learning of signaling networks: molecular mechanisms—0
Composing Molecules with Multiple Property Constraints—0
Graph-augmented Convolutional Networks on Drug-Drug Interactions Prediction—0
DeepAtom: A Framework for Protein-Ligand Binding Affinity PredictionCode0
CASTER: Predicting Drug Interactions with Chemical Substructure RepresentationCode0
Accurate Protein Structure Prediction by Embeddings and Deep Learning RepresentationsCode1
Image-Conditioned Graph Generation for Road Network ExtractionCode0
The recent advances in the mathematical modelling of human pluripotent stem cells—0
FfDL : A Flexible Multi-tenant Deep Learning Platform—0
PaccMann^RL: Designing anticancer drugs from transcriptomic data via reinforcement learning—0
DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning—0
Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria—0
Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling—0
Best Arm Identification in Generalized Linear Bandits—0
Towards Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-based Convolutional EncodersCode0
Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks—0
Show:102550
← PrevPage 8 of 9Next →

No leaderboard results yet.