---
title: Deep Learning Applied to Ligand-Based De Novo Drug Design
description: "hide gateway
Read our publication. Deep Learning Applied to Ligand-Based De Novo Drug Design. Contact Evotec to learn more!"
image: https://news.cyprotex.com/hubfs/Sciencepool/Sciencepool%20images/Shutterstock%20images/shutterstock_678583375-artificial-intelligence-blue-01.jpg
---

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# Science Pool

# Deep Learning Applied to Ligand-Based De Novo Drug Design

Posted by [Evotec](https://news.cyprotex.com/sciencepool/author/evotec) on Nov 11, 2021 1:50:06 PM

This article forms a book chapter in Artificial Intelligence in Drug Design.

In this review article, we provide the latest insights into de novo design approaches based on  artificial intelligence (AI) algorithms with a specific focus on ligand-based methods.

It includes:

- a background to de novo design approaches developed prior to the use of AI
- an overview of AI and commonly employed neural network architectures used in ligand based de novo design
- a list of more than 100 deep generative models reported in the literature from 2017-2020
- current applications of deep generative approaches in the drug discovery context
- an insight into future applications of deep generative models in de novo drug design 

[LEARN MORE](https://link.springer.com/protocol/10.1007/978-1-0716-1787-8_12)

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