# Reinforcement Learning for Personalized Drug Discovery and Design for Complex Diseases: A Systems Pharmacology Perspective

arXiv: https://arxiv.org/abs/2201.08894 · HTML: https://mlsanity.com/paper/2201.08894/

## Key facts

- Cited by 1 papers in the map (data through 14 Oct 2026).
- Builds on 52 of its 117 references that are in the map.
- First posted on arXiv 21 Jan 2022.

## Builds on (most cited first, 30 of 52)

- [Proximal Policy Optimization Algorithms](https://mlsanity.com/paper/1707.06347/) (2017)
- [Soft Actor-Critic: Off-Policy Maximum Entropy Deep Reinforcement Learning with a Stochastic Actor](https://mlsanity.com/paper/1801.01290/) (2018)
- [Auto-Encoding Variational Bayes](https://mlsanity.com/paper/1312.6114/) (2013)
- [Continuous control with deep reinforcement learning](https://mlsanity.com/paper/1509.02971/) (2015)
- [Trust Region Policy Optimization](https://mlsanity.com/paper/1502.05477/) (2015)
- [Addressing Function Approximation Error in Actor-Critic Methods](https://mlsanity.com/paper/1802.09477/) (2018)
- [Asynchronous Methods for Deep Reinforcement Learning](https://mlsanity.com/paper/1602.01783/) (2016)
- [Variational Inference with Normalizing Flows](https://mlsanity.com/paper/1505.05770/) (2015)
- [High-Dimensional Continuous Control Using Generalized Advantage Estimation](https://mlsanity.com/paper/1506.02438/) (2015)
- [Prioritized Experience Replay](https://mlsanity.com/paper/1511.05952/) (2015)
- [Dueling Network Architectures for Deep Reinforcement Learning](https://mlsanity.com/paper/1511.06581/) (2015)
- [Deep Reinforcement Learning in a Handful of Trials using Probabilistic Dynamics Models](https://mlsanity.com/paper/1805.12114/) (2018)
- [When to Trust Your Model: Model-Based Policy Optimization](https://mlsanity.com/paper/1906.08253/) (2019)
- [A Distributional Perspective on Reinforcement Learning](https://mlsanity.com/paper/1707.06887/) (2017)
- [Convolutional Networks on Graphs for Learning Molecular Fingerprints](https://mlsanity.com/paper/1509.09292/) (2015)
- [Machine Learning for Combinatorial Optimization: a Methodological Tour d'Horizon](https://mlsanity.com/paper/1811.06128/) (2018)
- [Neural Combinatorial Optimization with Reinforcement Learning](https://mlsanity.com/paper/1611.09940/) (2016)
- [Model-Based Reinforcement Learning for Atari](https://mlsanity.com/paper/1903.00374/) (2019)
- [Distributional Reinforcement Learning with Quantile Regression](https://mlsanity.com/paper/1710.10044/) (2017)
- [Safe Model-based Reinforcement Learning with Stability Guarantees](https://mlsanity.com/paper/1705.08551/) (2017)
- [Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation](https://mlsanity.com/paper/1806.02473/) (2018)
- [Neural Network Dynamics for Model-Based Deep Reinforcement Learning with Model-Free Fine-Tuning](https://mlsanity.com/paper/1708.02596/) (2017)
- [GuacaMol: Benchmarking Models for De Novo Molecular Design](https://mlsanity.com/paper/1811.09621/) (2018)
- [Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models](https://mlsanity.com/paper/1811.12823/) (2018)
- [Molecular De Novo Design through Deep Reinforcement Learning](https://mlsanity.com/paper/1704.07555/) (2017)
- [Model-Ensemble Trust-Region Policy Optimization](https://mlsanity.com/paper/1802.10592/) (2018)
- [Towards Causal Representation Learning](https://mlsanity.com/paper/2102.11107/) (2021)
- [Optimization of Molecules via Deep Reinforcement Learning](https://mlsanity.com/paper/1810.08678/) (2018)
- [A Generalized Algorithm for Multi-Objective Reinforcement Learning and Policy Adaptation](https://mlsanity.com/paper/1908.08342/) (2019)
- [Learning by Playing - Solving Sparse Reward Tasks from Scratch](https://mlsanity.com/paper/1802.10567/) (2018)

## Built on by (most cited first, 1 of 1)

- [Revolutionizing Genomics with Reinforcement Learning Techniques](https://mlsanity.com/paper/2302.13268/) (2023)

## Abstract (arXiv)

Many multi-genic systemic diseases such as neurological disorders, inflammatory diseases, and the majority of cancers do not have effective treatments yet. Reinforcement learning powered systems pharmacology is a potentially effective approach to design personalized therapies for untreatable complex diseases. In this survey, state-of-the-art reinforcement learning methods and their latest applications to drug design are reviewed. The challenges on harnessing reinforcement learning for systems pharmacology and personalized medicine are discussed. Potential solutions to overcome the challenges are proposed. In spite of successful application of advanced reinforcement learning techniques to target-based drug discovery, new reinforcement learning strategies are needed to address systems pharmacology-oriented personalized de novo drug design.