FRAGMENTA: End-to-end Fragmentation-based Generative Model with Agentic Tuning for Drug Lead Optimization
Fuente:
arXiv
Saved in:
| Main Authors: | Suzuki, Yuto, Awolade, Paul, LaBarbera, Daniel V., Banaei-Kashani, Farnoush |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Universe of Thoughts: Enabling Creative Reasoning with Large Language Models
by: Suzuki, Yuto, et al.
Published: (2025)
by: Suzuki, Yuto, et al.
Published: (2025)
Feeding Currents and practicle capture mechanisms in suspension feeding animals. / Michael LaBarbera
by: LaBarbera, Michael
Published: (1984)
by: LaBarbera, Michael
Published: (1984)
IceBench: A Benchmark for Deep Learning based Sea Ice Type Classification
by: Taleghan, Samira Alkaee, et al.
Published: (2025)
by: Taleghan, Samira Alkaee, et al.
Published: (2025)
Ice-FMBench: A Foundation Model Benchmark for Sea Ice Type Segmentation
by: Taleghan, Samira Alkaee, et al.
Published: (2025)
by: Taleghan, Samira Alkaee, et al.
Published: (2025)
Large Language Models as End-to-end Combinatorial Optimization Solvers
by: Jiang, Xia, et al.
Published: (2025)
by: Jiang, Xia, et al.
Published: (2025)
End-to-end PDDL Planning with Hardcoded and Dynamic Agents
by: La Malfa, Emanuele, et al.
Published: (2025)
by: La Malfa, Emanuele, et al.
Published: (2025)
Partial Label Learning with Focal Loss for Sea Ice Classification Based on Ice Charts
by: Vahedi, Behzad, et al.
Published: (2024)
by: Vahedi, Behzad, et al.
Published: (2024)
Test-Time Tuned Language Models Enable End-to-end De Novo Molecular Structure Generation from MS/MS Spectra
by: Mismetti, Laura, et al.
Published: (2025)
by: Mismetti, Laura, et al.
Published: (2025)
AgentEconomist: An End-to-end Agentic System Translating Economic Intuitions into Executable Computational Experiments
by: Chen, Jiaju, et al.
Published: (2026)
by: Chen, Jiaju, et al.
Published: (2026)
Synergy: End-to-end Concept Model
by: Zheng, Keli, et al.
Published: (2025)
by: Zheng, Keli, et al.
Published: (2025)
From Imitation to Exploration: End-to-end Autonomous Driving based on World Model
by: Li, Yueyuan, et al.
Published: (2024)
by: Li, Yueyuan, et al.
Published: (2024)
SGTR+: End-to-end Scene Graph Generation with Transformer
by: Li, Rongjie, et al.
Published: (2024)
by: Li, Rongjie, et al.
Published: (2024)
BioNeuralNet: A Graph Neural Network based Multi-Omics Network Data Analysis Tool
by: Ramos, Vicente, et al.
Published: (2025)
by: Ramos, Vicente, et al.
Published: (2025)
AgenticRec: End-to-End Tool-Integrated Policy Optimization for Ranking-Oriented Recommender Agents
by: Li, Tianyi, et al.
Published: (2026)
by: Li, Tianyi, et al.
Published: (2026)
E2ETune: End-to-End Knob Tuning via Fine-tuned Generative Language Model
by: Huang, Xinmei, et al.
Published: (2024)
by: Huang, Xinmei, et al.
Published: (2024)
End-to-end Optimization of Belief and Policy Learning in Shared Autonomy Paradigms
by: Farhadi, MH, et al.
Published: (2026)
by: Farhadi, MH, et al.
Published: (2026)
An end-to-end attention-based approach for learning on graphs
by: Buterez, David, et al.
Published: (2024)
by: Buterez, David, et al.
Published: (2024)
Efficient End-to-end Language Model Fine-tuning on Graphs
by: Xue, Rui, et al.
Published: (2023)
by: Xue, Rui, et al.
Published: (2023)
Meta-Harness: End-to-End Optimization of Model Harnesses
by: Lee, Yoonho, et al.
Published: (2026)
by: Lee, Yoonho, et al.
Published: (2026)
End-to-end Text-to-SQL Generation within an Analytics Insight Engine
by: Maamari, Karime, et al.
Published: (2024)
by: Maamari, Karime, et al.
Published: (2024)
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)
Autoencoder-Based Denoising of Muscle Artifacts in ECG to Preserve Skin Nerve Activity (SKNA) for Cognitive Stress Detection
by: Baghestani, Farnoush, et al.
Published: (2025)
by: Baghestani, Farnoush, et al.
Published: (2025)
Codebook-enabled Generative End-to-end Semantic Communication Powered by Transformer
by: Ye, Peigen, et al.
Published: (2024)
by: Ye, Peigen, et al.
Published: (2024)
CLAP: Contrastive Latent-space Prompt Optimization for End-to-end Autonomous Driving
by: Zhu, Ruiyang, et al.
Published: (2026)
by: Zhu, Ruiyang, et al.
Published: (2026)
MambaLRP: Explaining Selective State Space Sequence Models
by: Jafari, Farnoush Rezaei, et al.
Published: (2024)
by: Jafari, Farnoush Rezaei, et al.
Published: (2024)
AMELIA: A Family of Multi-task End-to-end Language Models for Argumentation
by: Savigny, Henri, et al.
Published: (2025)
by: Savigny, Henri, et al.
Published: (2025)
Chain-of-Agents: End-to-End Agent Foundation Models via Multi-Agent Distillation and Agentic RL
by: Li, Weizhen, et al.
Published: (2025)
by: Li, Weizhen, et al.
Published: (2025)
SLOGEN: A Structure-based Lead Optimization Model Unifying Fragment Generation and Screening
by: Yang, Bo
Published: (2025)
by: Yang, Bo
Published: (2025)
End-to-end Semantic-centric Video-based Multimodal Affective Computing
by: Lin, Ronghao, et al.
Published: (2024)
by: Lin, Ronghao, et al.
Published: (2024)
End-to-end Learnable Clustering for Intent Learning in Recommendation
by: Liu, Yue, et al.
Published: (2024)
by: Liu, Yue, et al.
Published: (2024)
MALLVI: A Multi-Agent Framework for Integrated Generalized Robotics Manipulation
by: Taji, Mehrshad, et al.
Published: (2026)
by: Taji, Mehrshad, et al.
Published: (2026)
Partial End-to-end Reinforcement Learning for Robustness Against Modelling Error in Autonomous Racing
by: Murdoch, Andrew, et al.
Published: (2023)
by: Murdoch, Andrew, et al.
Published: (2023)
LC-Opt: Benchmarking Reinforcement Learning and Agentic AI for End-to-End Liquid Cooling Optimization in Data Centers
by: Naug, Avisek, et al.
Published: (2025)
by: Naug, Avisek, et al.
Published: (2025)
LELA: An End-to-end LLM-based Entity Linking Framework with Zero-shot Domain Adaptation
by: Haffoudhi, Samy, et al.
Published: (2026)
by: Haffoudhi, Samy, et al.
Published: (2026)
Scaling LLM Multi-turn RL with End-to-end Summarization-based Context Management
by: Lu, Miao, et al.
Published: (2025)
by: Lu, Miao, et al.
Published: (2025)
LoRA-XS: Low-Rank Adaptation with Extremely Small Number of Parameters
by: Bałazy, Klaudia, et al.
Published: (2024)
by: Bałazy, Klaudia, et al.
Published: (2024)
OmniFlatten: An End-to-end GPT Model for Seamless Voice Conversation
by: Zhang, Qinglin, et al.
Published: (2024)
by: Zhang, Qinglin, et al.
Published: (2024)
Fragment-Masked Diffusion for Molecular Optimization
by: Li, Kun, et al.
Published: (2024)
by: Li, Kun, et al.
Published: (2024)
DeepTravel: An End-to-End Agentic Reinforcement Learning Framework for Autonomous Travel Planning Agents
by: Ning, Yansong, et al.
Published: (2025)
by: Ning, Yansong, et al.
Published: (2025)
TakeAD: Preference-based Post-optimization for End-to-end Autonomous Driving with Expert Takeover Data
by: Liu, Deqing, et al.
Published: (2025)
by: Liu, Deqing, et al.
Published: (2025)
Similar Items
-
Universe of Thoughts: Enabling Creative Reasoning with Large Language Models
by: Suzuki, Yuto, et al.
Published: (2025) -
Feeding Currents and practicle capture mechanisms in suspension feeding animals. / Michael LaBarbera
by: LaBarbera, Michael
Published: (1984) -
IceBench: A Benchmark for Deep Learning based Sea Ice Type Classification
by: Taleghan, Samira Alkaee, et al.
Published: (2025) -
Ice-FMBench: A Foundation Model Benchmark for Sea Ice Type Segmentation
by: Taleghan, Samira Alkaee, et al.
Published: (2025) -
Large Language Models as End-to-end Combinatorial Optimization Solvers
by: Jiang, Xia, et al.
Published: (2025)