Abstract

Using drugs is one of the ways we can influence biological activity in humans. However, how do we find molecules that act as an activator for our desired biological targets?

We will introduce approaches to this problem and do a deep dive into how to generate novel molecules for our desired purpose using deep learning.

Readings

[1]: Application of Generative Autoencoder in De Novo Molecular Design: 

https://onlinelibrary.wiley.com/doi/full/10.1002/minf.201700123