Publications by authors named "Abdelmoughni Toubal"
Int J Mol Sci
October 2022
Article Synopsis
- The study focuses on understanding molecular behavior by examining their structural features and properties, highlighting the limitations of current machine learning methods in accurately predicting these properties.
- A new technique using deep learning and a convolutional neural network (CNN) is introduced, employing a molecular matrix representation called Mol2mat to predict the bioactivity of chemical compounds.
- Experiments with two standard datasets show that a specific combination of three fingerprints used with the CNN achieved a high performance of 98% AUC, outperforming other mainstream machine learning algorithms.
