Conditioned Generative Modeling of Molecular Glues: A Realistic AI Approach for Synthesizable Drug-like Molecules
Fuente:
arXiv
Saved in:
| Main Authors: | Islam, Naeyma N., Caulfield, Thomas R. |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation
by: Tang, Xiangru, et al.
Published: (2024)
by: Tang, Xiangru, et al.
Published: (2024)
Generative Artificial Intelligence for Navigating Synthesizable Chemical Space
by: Gao, Wenhao, et al.
Published: (2024)
by: Gao, Wenhao, et al.
Published: (2024)
Open-Source Molecular Processing Pipeline for Generating Molecules
by: Shreyas, V, et al.
Published: (2024)
by: Shreyas, V, et al.
Published: (2024)
MolTextNet: A Two-Million Molecule-Text Dataset for Multimodal Molecular Learning
by: Zhu, Yihan, et al.
Published: (2025)
by: Zhu, Yihan, et al.
Published: (2025)
Addressing Model Overcomplexity in Drug-Drug Interaction Prediction With Molecular Fingerprints
by: Gil-Sorribes, Manel, et al.
Published: (2025)
by: Gil-Sorribes, Manel, et al.
Published: (2025)
Bridging Quantum and Classical Computing in Drug Design: Architecture Principles for Improved Molecule Generation
by: Smith, Andrew, et al.
Published: (2025)
by: Smith, Andrew, et al.
Published: (2025)
UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
by: Feng, Shikun, et al.
Published: (2024)
by: Feng, Shikun, et al.
Published: (2024)
Phenotypic Profile-Informed Generation of Drug-Like Molecules via Dual-Channel Variational Autoencoders
by: Liu, Hui, et al.
Published: (2025)
by: Liu, Hui, et al.
Published: (2025)
t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule Generation
by: Wu, Juan-Ni, et al.
Published: (2023)
by: Wu, Juan-Ni, et al.
Published: (2023)
Directly Optimizing for Synthesizability in Generative Molecular Design using Retrosynthesis Models
by: Guo, Jeff, et al.
Published: (2024)
by: Guo, Jeff, et al.
Published: (2024)
Probe Before You Edit: Probing-Guided Molecular Optimization for LLM Agents in Structure-Based Drug Design
by: Yang, Zaifei, et al.
Published: (2026)
by: Yang, Zaifei, et al.
Published: (2026)
WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking
by: Liu, Yunchao, et al.
Published: (2024)
by: Liu, Yunchao, et al.
Published: (2024)
Unraveling the Potential of Diffusion Models in Small Molecule Generation
by: Zhang, Peining, et al.
Published: (2025)
by: Zhang, Peining, et al.
Published: (2025)
Diffusion Models at the Drug Discovery Frontier: A Review on Generating Small Molecules versus Therapeutic Peptides
by: Wang, Yiquan, et al.
Published: (2025)
by: Wang, Yiquan, et al.
Published: (2025)
DrugPilot: LLM-based Parameterized Reasoning Agent for Drug Discovery
by: Li, Kun, et al.
Published: (2025)
by: Li, Kun, et al.
Published: (2025)
TAGMol: Target-Aware Gradient-guided Molecule Generation
by: Dorna, Vineeth, et al.
Published: (2024)
by: Dorna, Vineeth, et al.
Published: (2024)
Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation
by: Xu, Can, et al.
Published: (2024)
by: Xu, Can, et al.
Published: (2024)
Conditional Latent Space Molecular Scaffold Optimization for Accelerated Molecular Design
by: Boyar, Onur, et al.
Published: (2024)
by: Boyar, Onur, et al.
Published: (2024)
Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks
by: Qiu, Keyue, et al.
Published: (2024)
by: Qiu, Keyue, et al.
Published: (2024)
Repurformer: Transformers for Repurposing-Aware Molecule Generation
by: Lee, Changhun, et al.
Published: (2024)
by: Lee, Changhun, et al.
Published: (2024)
A Generalist Cross-Domain Molecular Learning Framework for Structure-Based Drug Discovery
by: Zhu, Yiheng, et al.
Published: (2025)
by: Zhu, Yiheng, et al.
Published: (2025)
Deep Lead Optimization: Leveraging Generative AI for Structural Modification
by: Zhang, Odin, et al.
Published: (2024)
by: Zhang, Odin, et al.
Published: (2024)
Procedural Synthesis of Synthesizable Molecules
by: Sun, Michael, et al.
Published: (2024)
by: Sun, Michael, et al.
Published: (2024)
End-to-End Reverse Screening Identifies Protein Targets of Small Molecules Using HelixFold3
by: Xu, Shengjie, et al.
Published: (2026)
by: Xu, Shengjie, et al.
Published: (2026)
Generative Molecular Design with Steerable and Granular Synthesizability Control
by: Guo, Jeff, et al.
Published: (2025)
by: Guo, Jeff, et al.
Published: (2025)
FROGENT: An End-to-End Full-process Drug Design Multi-Agent System
by: Pan, Qihua, et al.
Published: (2025)
by: Pan, Qihua, et al.
Published: (2025)
Fragment-Masked Diffusion for Molecular Optimization
by: Li, Kun, et al.
Published: (2024)
by: Li, Kun, et al.
Published: (2024)
Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge
by: Huang, Yufei, et al.
Published: (2024)
by: Huang, Yufei, et al.
Published: (2024)
Auxiliary Discrminator Sequence Generative Adversarial Networks (ADSeqGAN) for Few Sample Molecule Generation
by: Tang, Haocheng, et al.
Published: (2025)
by: Tang, Haocheng, et al.
Published: (2025)
A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning
by: Jang, Hyosoon, et al.
Published: (2026)
by: Jang, Hyosoon, et al.
Published: (2026)
InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery
by: Cao, He, et al.
Published: (2023)
by: Cao, He, et al.
Published: (2023)
TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models
by: Yoo, Kiwoong, et al.
Published: (2024)
by: Yoo, Kiwoong, et al.
Published: (2024)
Hierarchical Structure Enhances the Convergence and Generalizability of Linear Molecular Representation
by: Wu, Juan-Ni, et al.
Published: (2024)
by: Wu, Juan-Ni, et al.
Published: (2024)
Agentic AI platforms for autonomous training and rule induction of human-human and virus-human protein-protein interactions
by: Do, Hung N., et al.
Published: (2026)
by: Do, Hung N., et al.
Published: (2026)
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
by: Liu, Shengchao, et al.
Published: (2023)
by: Liu, Shengchao, et al.
Published: (2023)
Ligand-Conditioned Discrete Diffusion for Protein Sequence-Structure Co-Design
by: Wei, Chen, et al.
Published: (2026)
by: Wei, Chen, et al.
Published: (2026)
Quantum-inspired Reinforcement Learning for Synthesizable Drug Design
by: Wang, Dannong, et al.
Published: (2024)
by: Wang, Dannong, et al.
Published: (2024)
Pesti-Gen: Unleashing a Generative Molecule Approach for Toxicity Aware Pesticide Design
by: Kim, Taehan, et al.
Published: (2025)
by: Kim, Taehan, et al.
Published: (2025)
A Foundation Chemical Language Model for Comprehensive Fragment-Based Drug Discovery
by: Ho, Alexander, et al.
Published: (2025)
by: Ho, Alexander, et al.
Published: (2025)
A Hybrid Computational Intelligence Framework with Metaheuristic Optimization for Drug-Drug Interaction Prediction
by: Shamami, Maryam Abdollahi, et al.
Published: (2025)
by: Shamami, Maryam Abdollahi, et al.
Published: (2025)
Similar Items
-
A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation
by: Tang, Xiangru, et al.
Published: (2024) -
Generative Artificial Intelligence for Navigating Synthesizable Chemical Space
by: Gao, Wenhao, et al.
Published: (2024) -
Open-Source Molecular Processing Pipeline for Generating Molecules
by: Shreyas, V, et al.
Published: (2024) -
MolTextNet: A Two-Million Molecule-Text Dataset for Multimodal Molecular Learning
by: Zhu, Yihan, et al.
Published: (2025) -
Addressing Model Overcomplexity in Drug-Drug Interaction Prediction With Molecular Fingerprints
by: Gil-Sorribes, Manel, et al.
Published: (2025)