If you cite the prediction models, please cite the following papers:

Enzyme-Substrate Pair Prediction:
  • Kroll, A., Ranjan, S., Engqvist, M. K., & Lercher, M. J. (2023). A general model to predict small molecule substrates of enzymes based on machine and deep learning. Nature Communications, 14(1), 2787.
  • Kroll, A., Ranjan, S., & Lercher, M. J. (2023). A multimodal Transformer Network for protein-small molecule interactions enhances drug-target affinity and enzyme-substrate predictions. bioRxiv.
Turnover Number kcat Prediction:
  • Kroll, A., Rousset, Y., Hu, X. P., Liebrand, N. A., & Lercher, M. J. (2023). Turnover number predictions for kinetically uncharacterized enzymes using machine and deep learning. Nature Communications, 14(1), 4139.
Michaelis Constant KM Prediction:
  • Kroll, A., Engqvist, M. K., Heckmann, D., & Lercher, M. J. (2021). Deep learning allows genome-scale prediction of Michaelis constants from structural features. PLoS Biology, 19(10), e3001402.
Transporter-Substrate Pair Prediction: