Assembled and published by Daniel E. Christiansen under the MIT License.
Repository of data on protein adsorption to polymeric self-assembled monolayers (SAMs) by Ostuni et al., originally published May 22nd, 2001. Please read the original reference for more information about methods used to produce this dataset.
The dataset is stored in a comma-separated values file (Whitesides_data.csv). Property data are extracted from the original reference. SMILES notations are added by myself in agreement with materials included in the dataset. Adsorption data presented as the percent of a monolayer of protein adsorbed onto mixed SAM.
Description of variables:
- Sample Number - Order presented in original dataset
- SMILES - Linear notation of material chemistries
- Fibrinogen-3 - %ML of Fibrinogen at 3 minutes
- Fibrinogen-30 - %ML of Fibrinogen at 30 minutes
- Lysozyme-3 - %ML of Lysozyme at 3 minutes
- Lysozyme-30 - %ML of Lysozyme at 30 minutes
Please cite the following if you use this data in any capacity:
Additional reading on machine learning applications involving this dataset:
- T. C. Le, M. Penna, D. A. Winkler, I. Yarovsky, "Quantitative design rules for protein-resistant surface coatings using machine learning," Scientific Reports, 2019, 9, 265
- Y. Liu, D. Zhang, Y. Tang, Y. Zhang, Y. Chang, J. Zheng, "Machine Learning-Enabled Design and Prediction of Protein Resistance on Self-Assembled Monolayers and Beyond," ACS Appl. Mater. Interfaces, 2021, 13, 9, 11306-11319
- Y. Liu, D. Zhang, Y. Tang, Y. Zhang, X. Gong, S. Xie, J. Zheng, "Machine Learning-Enabled Repurposing and Design of Antifouling Polymer Brushes," Chem. Eng. Journal, 2021, 420, 1