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 461–470 of 691 papers

TitleStatusHype
Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction—0
Pix2Geomodel: A Next-Generation Reservoir Geomodeling with Property-to-Property Translation—0
PointGAT: A quantum chemical property prediction model integrating graph attention and 3D geometry—0
Polymer Informatics: Current Status and Critical Next Steps—0
Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks—0
Likelihood Annealing: Fast Calibrated Uncertainty for Regression—0
PotentialNet for Molecular Property Prediction—0
Uncertainty quantification of molecular property prediction using Bayesian neural network models—0
WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction—0
Predicting performance-related properties of refrigerant based on tailored small-molecule functional group contribution—0
Show:102550
← PrevPage 47 of 70Next →

No leaderboard results yet.