Title:Advances in Deep Learning Assisted Drug Discovery Methods: A Self-review
Volume: 19
Issue: 10
Author(s): Haiping Zhang and Konda Mani Saravanan*
Affiliation:
- Department of Biotechnology, Bharath Institute of Higher Education and Research, Chennai, 600073, Tamil Nadu, India
Keywords:
Deep learning, drug screening, drug discovery, artificial intelligence, binding affinity, binary classifier.
Abstract: Artificial Intelligence is a field within computer science that endeavors to replicate the
intricate structures and operational mechanisms inherent in the human brain. Machine learning is a
subfield of artificial intelligence that focuses on developing models by analyzing training data. Deep
learning is a distinct subfield within artificial intelligence, characterized by using models that depict
geometric transformations across multiple layers. The deep learning has shown significant promise in
various domains, including health and life sciences. In recent times, deep learning has demonstrated
successful applications in drug discovery. In this self-review, we present recent methods developed
with the aid of deep learning. The objective is to give a brief overview of the present cutting-edge
advancements in drug discovery from our group. We have systematically discussed experimental evidence
and proof of concept examples for the deep learning-based models developed, such as Deep-
BindBC, DeepPep, and DeepBindRG. These developments not only shed light on the existing challenges
but also emphasize the achievements and prospects for future drug discovery and development
progress.