TropMol: a cloud-based web tool for virtual screening and early-stage prediction of acetylcholinesterase inhibitors using machine learning
Abstract
) of the compounds. The presence of linear alkane chains also seems relevant to activity (positive correlation and greater importance). The data and models are available at the following link: (https://colab.research.google.com/drive/1gMcuXAsrqTIBMNnsCEWG9xfkK7aaZAbn?usp=sharing).
Fields of Study & Subjects
Computational Drug Discovery Methods
Cholinesterase and Neurodegenerative Diseases
Machine Learning in Materials Science
Publication details
- Journal / source
- Organic & Biomolecular Chemistry
- Volume
- 24
- Issue
- 9
- Pages
- 1868–1876
- Publication date
- 1 January 2026
- Language
- EN