diff --git a/examples/property_prediction/MTL/README.md b/examples/property_prediction/MTL/README.md index 5bed2be7..c78c6c8b 100644 --- a/examples/property_prediction/MTL/README.md +++ b/examples/property_prediction/MTL/README.md @@ -1,5 +1,7 @@ # Multitask Graph Neural Network for Molecular Property Prediction +[Paper](https://arxiv.org/abs/2111.13964) + ## Usage ``` @@ -64,3 +66,14 @@ The hyperparameters for all experiments are included in `configure.py`: | AttentiveFP_HLM | No | AttentiveFP | Parallel | HLM | | AttentiveFP_HH | No | AttentiveFP | Parallel | HH | | AttentiveFP_KinSol | No | AttentiveFP | Parallel | KinSol | + +## Cite + +``` +@article{Broccatelli21, + title={Benchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical Spaces}, + author={Fabio Broccatelli and Richard Trager and Michael Reutlinger and George Karypis and Mufei Li}, + year={2021}, + journal={arXiv preprint arXiv:2111.13964} +} +```