SOTAVerified

Property Prediction

Property prediction involves forecasting or estimating a molecule's inherent physical and chemical properties based on information derived from its structural characteristics. It facilitates high-throughput evaluation of an extensive array of molecular properties, enabling the virtual screening of compounds. Additionally, it provides the means to predict the unknown attributes of new molecules, thereby bolstering research efficiency and reducing development times.

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 551–575 of 691 papers

TitleStatusHype
Low-cost machine learning approach to the prediction of transition metal phosphor excited state properties—0
Lyra: An Efficient and Expressive Subquadratic Architecture for Modeling Biological Sequences—0
Machine Learning - Driven Materials Discovery: Unlocking Next-Generation Functional Materials -- A minireview—0
Machine learning for accelerating effective property prediction for poroelasticity problem in stochastic media—0
Machine Learning for Material Characterization with an Application for Predicting Mechanical Properties—0
Material Microstructure Design Using VAE-Regression with Multimodal Prior—0
Material Property Prediction with Element Attribute Knowledge Graphs and Multimodal Representation Learning—0
MaterialsAtlas.org: A Materials Informatics Web App Platform for Materials Discovery and Survey of State-of-the-Art—0
A Materials Map Integrating Experimental and Computational Data via Graph-Based Machine Learning for Enhanced Materials Discovery—0
MatterChat: A Multi-Modal LLM for Material Science—0
MatWheel: Addressing Data Scarcity in Materials Science Through Synthetic Data—0
May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations—0
Message-Passing State-Space Models: Improving Graph Learning with Modern Sequence Modeling—0
MetaFAP: Meta-Learning for Frequency Agnostic Prediction of Metasurface Properties—0
Meta-Learning GNN Initializations for Low-Resource Molecular Property Prediction—0
MLPROP -- an open interactive web interface for thermophysical property prediction with machine learning—0
Multilingual Molecular Representation Learning via Contrastive Pre-training—0
MolCAP: Molecular Chemical reActivity pretraining and prompted-finetuning enhanced molecular representation learning—0
MolCPT: Molecule Continuous Prompt Tuning to Generalize Molecular Representation Learning—0
Uncertainty quantification of molecular property prediction using Bayesian neural network models—0
Molecular Property Prediction Based on Graph Structure Learning—0
Molecular Property Prediction by Semantic-invariant Contrastive Learning—0
Molecular Representation Learning by Leveraging Chemical Information—0
Molecular topological deep learning for polymer property prediction—0
Molecule Design by Latent Prompt Transformer—0
Show:102550
← PrevPage 23 of 28Next →

No leaderboard results yet.