https://www.amazon.science/blog/customized-amazon-nova-models-improve-molecular-property-prediction-in-drug-discovery
Customized Amazon Nova models improve molecular-property prediction in drug discovery - Amazon...
Apr 24, 2026 - A single, optimized LLM unifies what previously required multiple models and can serve as a reasoning partner for medical chemists.
amazon novamolecular propertycustomizedmodelsimprove
https://pmc.ncbi.nlm.nih.gov/articles/PMC12574261/
Enhancing molecular property prediction through data integration and consistency assessment - PMC
Data heterogeneity and distributional misalignments pose critical challenges for machine learning models, often compromising predictive accuracy. These...
molecular propertydata integrationenhancingprediction
https://arxiv.org/abs/1906.11081
[1906.11081] Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective
Abstract page for arXiv paper 1906.11081: Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective
molecular property190611081prediction
https://deepai.org/publication/tyger-task-type-generic-active-learning-for-molecular-property-prediction
Tyger: Task-Type-Generic Active Learning for Molecular Property Prediction | DeepAI
May 23, 2022 - 05/23/22 - How to accurately predict the properties of molecules is an essential problem in AI-driven drug discovery, which generally require...
active learningmolecular propertytygertasktype
https://openreview.net/forum?id=yVLGEnHSEU&referrer=%5Bthe%20profile%20of%20Kristin%20Schmidt%5D(%2Fprofile%3Fid%3D~Kristin_Schmidt1)
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction |...
We present a novel multimodal language model approach for predicting molecular properties by combining chemical language representation with physicochemical...
molecular propertybeyondchemicallanguagemultimodal
https://openreview.net/forum?id=dnRSxTNIvjK
Jointly Modelling Uncertainty and Diversity for Active Molecular Property Prediction | OpenReview
We propose a novel AL method that jointly models uncertainty and diversity without the trade-off hyperparameters.
molecular propertyjointlymodellinguncertaintydiversity
https://arxiv.org/abs/2208.04852v1
[2208.04852v1] Graph neural networks for the prediction of molecular structure-property...
Abstract page for arXiv paper 2208.04852v1: Graph neural networks for the prediction of molecular structure-property relationships
graph neural networksfor the