Ligandformer is a self-attention graph neural network framework that predicts compound properties, outputs attention maps for local structural interpretation, and claims improved robustness and generalization over prior methods.
Mining discriminative patterns from graph data with multiple labels and its application to quantitative structure–activity relationship (qsar) models
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
q-bio.BM 1years
2022 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Ligandformer: A Graph Neural Network for Predicting Compound Property with Robust Interpretation
Ligandformer is a self-attention graph neural network framework that predicts compound properties, outputs attention maps for local structural interpretation, and claims improved robustness and generalization over prior methods.