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Drug Design

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Showing 226–250 of 440 papers

TitleStatusHype
SynerGPT: In-Context Learning for Personalized Drug Synergy Prediction and Drug Design—0
Happy People -- Image Synthesis as Black-Box Optimization Problem in the Discrete Latent Space of Deep Generative Models—0
Phen-DC 3 Induces Refolding of Human Telomeric DNA into a Chair-Type Antiparallel G-Quadruplex through Ligand Intercalation—0
Balancing Exploration and Exploitation: Disentangled β-CVAE in De Novo Drug Design—0
Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and ElaborationCode2
Approximation-Generalization Trade-offs under (Approximate) Group Equivariance—0
Learning Subpocket Prototypes for Generalizable Structure-based Drug DesignCode1
Generation of 3D Molecules in Pockets via Language Model—0
In Silico Approaches to Deliver Better Antibodies by Design: The Past, the Present and the Future—0
Knowledge graph-enhanced molecular contrastive learning with functional prompt—0
Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks—0
O-GNN: Incorporating Ring Priors into Molecular ModelingCode1
SILVR: Guided Diffusion for Molecule GenerationCode2
An Equivariant Generative Framework for Molecular Graph-Structure Co-DesignCode0
Evaluation of GPT and BERT-based models on identifying protein-protein interactions in biomedical text—0
Utilizing Reinforcement Learning for de novo Drug DesignCode0
Molecular Property Prediction by Semantic-invariant Contrastive Learning—0
Bridging the Gap between Chemical Reaction Pretraining and Conditional Molecule Generation with a Unified ModelCode1
DP-Fast MH: Private, Fast, and Accurate Metropolis-Hastings for Large-Scale Bayesian InferenceCode0
Infinite Physical Monkey: Do Deep Learning Methods Really Perform Better in Conformation Generation?—0
3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity PredictionCode2
Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation—0
Machine learning for the prediction of safe and biologically active organophosphorus molecules—0
ClaPIM: Scalable Sequence CLAssification using Processing-In-MemoryCode0
Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking?—0
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