# Predicting Side Effect of Drug Molecules using Recurrent Neural Networks

arXiv: https://arxiv.org/abs/2305.10473 · HTML: https://mlsanity.com/paper/2305.10473/

## Key facts

- Cited by 1 papers in the map (data through 14 Oct 2026).
- Builds on 14 of its 37 references that are in the map.
- First posted on arXiv 17 May 2023.

## Builds on (most cited first, 14 of 14)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding](https://mlsanity.com/paper/1810.04805/) (2018)
- [Learning Phrase Representations using RNN Encoder-Decoder for Statistical Machine Translation](https://mlsanity.com/paper/1406.1078/) (2014)
- [A Comprehensive Survey on Graph Neural Networks](https://mlsanity.com/paper/1901.00596/) (2019)
- [MoleculeNet: A Benchmark for Molecular Machine Learning](https://mlsanity.com/paper/1703.00564/) (2017)
- [Strategies for Pre-training Graph Neural Networks](https://mlsanity.com/paper/1905.12265/) (2019)
- [Galactica: A Large Language Model for Science](https://mlsanity.com/paper/2211.09085/) (2022)
- [Empirical Evaluation of Rectified Activations in Convolutional Network](https://mlsanity.com/paper/1505.00853/) (2015)
- [Analyzing Learned Molecular Representations for Property Prediction](https://mlsanity.com/paper/1904.01561/) (2019)
- [ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction](https://mlsanity.com/paper/2106.06130/) (2021)
- [A Theoretically Grounded Application of Dropout in Recurrent Neural Networks](https://mlsanity.com/paper/1512.05287/) (2015)
- [Comparative Study of CNN and RNN for Natural Language Processing](https://mlsanity.com/paper/1702.01923/) (2017)
- [LiteGEM: Lite Geometry Enhanced Molecular Representation Learning for Quantum Property Prediction](https://mlsanity.com/paper/2106.14494/) (2021)
- [A Novel Independent RNN Approach to Classification of Seizures against Non-seizures](https://mlsanity.com/paper/1903.09326/) (2019)

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

- [Diffusion-based Evolutionary Optimization for 3D Multi-Objective Molecular Generation](https://mlsanity.com/paper/2505.11037/) (2025)

## Abstract (arXiv)

Identification and verification of molecular properties such as side effects is one of the most important and time-consuming steps in the process of molecule synthesis. For example, failure to identify side effects before submission to regulatory groups can cost millions of dollars and months of additional research to the companies. Failure to identify side effects during the regulatory review can also cost lives. The complexity and expense of this task have made it a candidate for a machine learning-based solution. Prior approaches rely on complex model designs and excessive parameter counts for side effect predictions. We believe reliance on complex models only shifts the difficulty away from chemists rather than alleviating the issue. Implementing large models is also expensive without prior access to high-performance computers. We propose a heuristic approach that allows for the utilization of simple neural networks, specifically the recurrent neural network, with a 98+% reduction in the number of required parameters compared to available large language models while still obtaining near identical results as top-performing models.