Machine Learning Empowered Drug Screen

Dear Colleagues,

Drug design is a lengthy, costly, difficult, and inefficient process in spite of advances in biotechnology and the understanding of biological systems. Finding efficient drug pathways is crucial in the fight against future outbreaks, and much effort has been devoted to it. Computer-aided drug design (CADD) plays a vital role in accelerating the discovery of potential lead compounds and the optimization of their structure for the following pharmacological tests. In CADD, machine learning is widely used to train a model to predict the target properties including their potency and toxicity. Thus, machine learning methods are required to better accelerate the design of drugs. In this Special Issue on “Machine Learning-Empowered Drug Screen”, we will discuss various aspects of drug screen using machine learning methods.

Dr. Teng Zhou
Dr. Jiaqi Wang
Dr. Youyi Song
Topic Editors