Generation of focused drug molecule library using recurrent neural network.
Journal:
Journal of molecular modeling
Published Date:
Nov 6, 2023
Abstract
CONTEXT: With the wide application of deep learning in drug research and development, de novo molecular design methods based on recurrent neural network (RNN) have strong advantages in drug molecule generation. The RNN model can be used to learn the internal chemical structure of molecules, which is similar to a natural language processing task. Although techniques for generating target-specific molecular libraries based on RNN models are mature, research related to drug design and screening continues around the clock. Research based on de novo drug design methods to generate larger quantities of valid compounds is necessary.