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Drug Design

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Showing 201–225 of 440 papers

TitleStatusHype
Computing Absolute Free Energy with Deep Generative Models—0
Conformal Drug Property Prediction with Density Estimation under Covariate Shift—0
Continuous Representation of Molecules Using Graph Variational Autoencoder—0
ControlMol: Adding Substructure Control To Molecule Diffusion Models—0
Covering Multiple Objectives with a Small Set of Solutions Using Bayesian Optimization—0
CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations—0
Data-Efficient Protein 3D Geometric Pretraining via Refinement of Diffused Protein Structure Decoy—0
DCI: An Accurate Quality Assessment Criteria for Protein Complex Structure Models—0
Decoding Drug Discovery: Exploring A-to-Z In silico Methods for Beginners—0
DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization—0
Decomposed Direct Preference Optimization for Structure-Based Drug Design—0
DeepBioisostere: Discovering Bioisosteres with Deep Learning for a Fine Control of Multiple Molecular Properties—0
Deep Denerative Models for Drug Design and Response—0
DeepIso: A Deep Learning Model for Peptide Feature Detection—0
Deep Lead Optimization: Leveraging Generative AI for Structural Modification—0
Deep learning is competing random forest in computational docking—0
Deep Manifold Transformation for Protein Representation Learning—0
DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning—0
Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods—0
De Novo Drug Design with Joint Transformers—0
De Novo Molecular Generation with Stacked Adversarial Model—0
Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria—0
Diffusing on Two Levels and Optimizing for Multiple Properties: A Novel Approach to Generating Molecules with Desirable Properties—0
Diffusion Models in De Novo Drug Design—0
Direct Coupling Analysis of Epistasis in Allosteric Materials—0
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