Image de couverture de livre

Preferential Multi-Objective Bayesian Optimization for Drug Discovery

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Dang, Tai, Pham, Long-Hung, Truong, Sang T., Glenn, Ari, Nguyen, Wendy, Pham, Edward A., Glenn, Jeffrey S., Koyejo, Sanmi, Luong, Thang
Format:	Preprint
Publié:	2025
Sujets:	Machine Learning Human-Computer Interaction Biomolecules
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Scaffold-Based Multi-Objective Drug Candidate Optimization
par: Kruel, Agustin, et autres
Publié: (2022)

OpenMS WebApps: Building User-Friendly Solutions for MS Analysis
par: Müller, Tom David, et autres
Publié: (2024)

Artificial Intelligence Approaches for Anti-Addiction Drug Discovery
par: Chen, Dong, et autres
Publié: (2025)

CURE: Cultural Understanding and Reasoning Evaluation - A Framework for "Thick" Culture Alignment Evaluation in LLMs
par: Vo, Truong, et autres
Publié: (2025)

AI-driven Alternative Medicine: A Novel Approach to Drug Discovery and Repurposing
par: Bilokon, Oleksandr, et autres
Publié: (2024)

Scoring-Assisted Generative Exploration for Proteins (SAGE-Prot): A Framework for Multi-Objective Protein Optimization via Iterative Sequence Generation and Evaluation
par: Lim, Hocheol, et autres
Publié: (2025)

DrugPilot: LLM-based Parameterized Reasoning Agent for Drug Discovery
par: Li, Kun, et autres
Publié: (2025)

Minimal Models for RNA Simulations
par: Thirumalai, D., et autres
Publié: (2024)

Predicting the activity of chemical compounds based on machine learning approaches
par: Tu, Do Hoang, et autres
Publié: (2023)

Conditional Chemical Language Models are Versatile Tools in Drug Discovery
par: Zhu, Lu, et autres
Publié: (2025)

Graph Neural Networks in Modern AI-aided Drug Discovery
par: Zhang, Odin, et autres
Publié: (2025)

How Evaluation Choices Distort the Outcome of Generative Drug Discovery
par: Özçelik, Rıza, et autres
Publié: (2024)

Advances in RNA secondary structure prediction and RNA modifications: Methods, data, and applications
par: Yang, Shu, et autres
Publié: (2025)

Advances in Protein Representation Learning: Methods, Applications, and Future Directions
par: Nguyen, Viet Thanh Duy, et autres
Publié: (2025)

Quantum-machine-assisted Drug Discovery
par: Zhou, Yidong, et autres
Publié: (2024)

Steering Protein Family Design through Profile Bayesian Flow
par: Gong, Jingjing, et autres
Publié: (2025)

Multi-Objective Latent Space Optimization of Generative Molecular Design Models
par: Abeer, A N M Nafiz, et autres
Publié: (2022)

Graph-structured Small Molecule Drug Discovery Through Deep Learning: Progress, Challenges, and Opportunities
par: Li, Kun, et autres
Publié: (2025)

PKAG-DDI: Pairwise Knowledge-Augmented Language Model for Drug-Drug Interaction Event Text Generation
par: Wang, Ziyan, et autres
Publié: (2025)

Systems-Structure-Based Drug Design
par: Zaballa, Vincent D., et autres
Publié: (2024)

Solvation enhances folding cooperativity and the topology dependence of folding rates in a lattice protein model
par: Nguyen, Nhung T. T., et autres
Publié: (2025)

AI-Guided Molecular Simulations in VR: Exploring Strategies for Imitation Learning in Hyperdimensional Molecular Systems
par: Dhouioui, Mohamed, et autres
Publié: (2024)

Peptide Vaccine Design by Evolutionary Multi-Objective Optimization
par: Liu, Dan-Xuan, et autres
Publié: (2024)

Quantum Long Short-Term Memory for Drug Discovery
par: Zhang, Liang, et autres
Publié: (2024)

Decomposed Direct Preference Optimization for Structure-Based Drug Design
par: Cheng, Xiwei, et autres
Publié: (2024)

mRNAutilus: Multi-Objective-Guided Discrete Generation of mRNA with Optimized Therapeutic Properties
par: Patel, Sawan, et autres
Publié: (2026)

On Novel Approach for Computing Distance based Indices of Anti-tuberculosis Drugs
par: Gunawardhana, D. C., et autres
Publié: (2024)

FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling
par: Zhang, Zaixi, et autres
Publié: (2024)

MP2D: Constrained Monte Carlo Tree-Guided Diffusion for Multi-Objective Protein Sequence Design
par: Kong, Zitai, et autres
Publié: (2026)

A Geometric Graph-Based Deep Learning Model for Drug-Target Affinity Prediction
par: Rana, Md Masud, et autres
Publié: (2025)

DrugCLIP: Contrastive Drug-Disease Interaction For Drug Repurposing
par: Lu, Yingzhou, et autres
Publié: (2024)

Bayesian Uncertainty Quantification for Anaerobic Digestion models
par: Picard-Weibel, Antoine, et autres
Publié: (2024)

Discrimination vs. Generation: The Machine Learning Dichotomy for Dopaminergic Hit Discovery
par: Sobodu, Temitope, et autres
Publié: (2024)

Directed Evolution of Proteins via Bayesian Optimization in Embedding Space
par: Soldát, Matouš, et autres
Publié: (2025)

Hybrid Quantum Generative Adversarial Networks for Molecular Simulation and Drug Discovery
par: Jain, Prateek, et autres
Publié: (2022)

Large Language Model Agent for Modular Task Execution in Drug Discovery
par: Ock, Janghoon, et autres
Publié: (2025)

Contrastive Multi-Task Learning with Solvent-Aware Augmentation for Drug Discovery
par: Lan, Jing, et autres
Publié: (2025)

SMARTINI3: Systematic Parametrization of Realistic Multi-Scale Membrane Models via Unsupervised Learning and Multi-Objective Evolutionary Algorithms
par: Soleimani, Alireza, et autres
Publié: (2024)

Latent-Y: A Lab-Validated Autonomous Agent for De Novo Drug Design
par: Latent Labs Team, et autres
Publié: (2026)

Pushing the boundaries of Structure-Based Drug Design through Collaboration with Large Language Models
par: Gao, Bowen, et autres
Publié: (2025)