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Drug Design

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Showing 326–350 of 440 papers

TitleStatusHype
Molecule Generation from Input-Attributions over Graph Convolutional Networks—0
Semi-Supervised GCN for learning Molecular Structure-Activity Relationships—0
Reinforcement Learning for Personalized Drug Discovery and Design for Complex Diseases: A Systems Pharmacology Perspective—0
AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor—0
Frequent Itemset-driven Search for Finding Minimum Node Separators in Complex Networks—0
A Constraint Programming Approach to Weighted Isomorphic Mapping of Fragment-based Shape Signatures—0
Learning to Detect Critical Nodes in Sparse Graphs via Feature Importance Awareness—0
HelixMO: Sample-Efficient Molecular Optimization in Scene-Sensitive Latent Space—0
Equivalent Distance Geometry Error for Molecular Conformation ComparisonCode0
AI challenges for predicting the impact of mutations on protein stability—0
Structure-aware generation of drug-like molecules—0
De Novo Molecular Generation with Stacked Adversarial Model—0
Molecular Graph Generation via Geometric Scattering—0
An In-depth Summary of Recent Artificial Intelligence Applications in Drug Design—0
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design—0
Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation—0
Pharmacoprint -- a combination of pharmacophore fingerprint and artificial intelligence as a tool for computer-aided drug design—0
Knowledge Guided Geometric Editing for Unsupervised Drug Design—0
Deep Denerative Models for Drug Design and Response—0
Hybrid quantum-classical machine learning for generative chemistry and drug design—0
APObind: A Dataset of Ligand Unbound Protein Conformations for Machine Learning Applications in De Novo Drug Design—0
New Candidates for Furin Inhibition as Probable Treat for COVID-19: Docking Output—0
Machine Learning Implicit Solvation for Molecular Dynamics—0
Robust Graph Meta-learning for Weakly-supervised Few-shot Node Classification—0
Realistic molecule optimization on a learned graph manifold—0
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