This paper is published in Volume-10, Issue-5, 2024
Area
Bioinformatics
Author
Harihar Prasad
Org/Univ
Greenwood High International School, Bengaluru, India
Pub. Date
27 October, 2024
Paper ID
V10I5-1386
Publisher
Keywords
Protein-ligand binding affinity, Transformers, Convolutional Neural Network, Task-adaptive feature transformations, Transfer Learning, Binding Affinity, Drug Discovery, Machine Learning, BERT

Citationsacebook

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.

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.