Article Versions Notes

Lovrić M, Đuričić T, Tran HTN, Hussain H, Lacić E, Rasmussen MA, Kern R. Should We Embed in Chemistry? A Comparison of Unsupervised Transfer Learning with PCA, UMAP, and VAE on Molecular Fingerprints. Pharmaceuticals. 2021; 14(8):758. https://doi.org/10.3390/ph14080758

Lovrić, Mario, Tomislav Đuričić, Han T. N. Tran, Hussain Hussain, Emanuel Lacić, Morten A. Rasmussen, and Roman Kern. 2021. "Should We Embed in Chemistry? A Comparison of Unsupervised Transfer Learning with PCA, UMAP, and VAE on Molecular Fingerprints" Pharmaceuticals 14, no. 8: 758. https://doi.org/10.3390/ph14080758

Lovrić, M., Đuričić, T., Tran, H. T. N., Hussain, H., Lacić, E., Rasmussen, M. A., & Kern, R. (2021). Should We Embed in Chemistry? A Comparison of Unsupervised Transfer Learning with PCA, UMAP, and VAE on Molecular Fingerprints. Pharmaceuticals, 14(8), 758. https://doi.org/10.3390/ph14080758