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

Showing 141150 of 691 papers

TitleStatusHype
LIMO: Latent Inceptionism for Targeted Molecule GenerationCode1
Graph Rationalization with Environment-based AugmentationsCode1
Shortest Path Networks for Graph Property PredictionCode1
KPGT: Knowledge-Guided Pre-training of Graph Transformer for Molecular Property PredictionCode1
Pre-training via Denoising for Molecular Property PredictionCode1
A graph representation of molecular ensembles for polymer property predictionCode1
Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property PredictionCode1
Learning to Split for Automatic Bias DetectionCode1
Naturally-meaningful and efficient descriptors: machine learning of material properties based on robust one-shot ab initio descriptorsCode1
Structured Multi-task Learning for Molecular Property PredictionCode1
Show:102550
← PrevPage 15 of 70Next →

No leaderboard results yet.