This paper is published in Volume-10, Issue-5, 2024
Area
Bioinformatics
Author
Harihar Prasad
Org/Univ
Greenwood High International School, Bengaluru, India
Keywords
Protein-ligand binding affinity, Transformers, Convolutional Neural Network, Task-adaptive feature transformations, Transfer Learning, Binding Affinity, Drug Discovery, Machine Learning, BERT
Citations
IEEE
Harihar Prasad. AFBAP : Attention For Binding Affinity Prediction, International Journal of Advance Research, Ideas and Innovations in Technology, www.IJARIIT.com.
APA
Harihar Prasad (2024). AFBAP : Attention For Binding Affinity Prediction. International Journal of Advance Research, Ideas and Innovations in Technology, 10(5) www.IJARIIT.com.
MLA
Harihar Prasad. "AFBAP : Attention For Binding Affinity Prediction." International Journal of Advance Research, Ideas and Innovations in Technology 10.5 (2024). www.IJARIIT.com.
Harihar Prasad. AFBAP : Attention For Binding Affinity Prediction, International Journal of Advance Research, Ideas and Innovations in Technology, www.IJARIIT.com.
APA
Harihar Prasad (2024). AFBAP : Attention For Binding Affinity Prediction. International Journal of Advance Research, Ideas and Innovations in Technology, 10(5) www.IJARIIT.com.
MLA
Harihar Prasad. "AFBAP : Attention For Binding Affinity Prediction." International Journal of Advance Research, Ideas and Innovations in Technology 10.5 (2024). www.IJARIIT.com.
Abstract
This paper introduces the AFBAP model, a novel machine learning model that leverages transfer learning benefits from pre-trained transformers ProtBert and ChemBERTa for feature extraction, and utilises a CNN-based prediction module prefaced by a task-adaptive feature transformation to predict protein-ligand binding affinity with state-of-the-art accuracy. It accepts one-dimensional sequential inputs for both proteins and ligands, in the form of amino acid strings and SMILES strings respectively. AFBAP’s performance over a number of datasets using standard evaluation metrics validates the fact that the model achieves higher accuracy with lower training times and lower compute. AFBAP democratizes access to computational methods of optimizing drug discovery, paving the way for rapid and accessible innovation in drug discovery research.