Messenger RNA-based medicines hold immense potential, as evidenced by their rapid deployment as COVID-19 vaccines. However, worldwide distribution of mRNA molecules has been limited by their thermostability, which is fundamentally limited by the intrinsic instability of RNA molecules to a chemical degradation reaction called in-line hydrolysis. Predicting the degradation of an RNA molecule is a key task in designing more stable RNA-based therapeutics. Here, we describe a crowdsourced machine learning competition ("Stanford OpenVaccine") on Kaggle, involving single-nucleotide resolution measurements on 6043 102-130-nucleotide diverse RNA constructs that were themselves solicited through crowdsourcing on the RNA design platform Eterna. The entire experiment was completed in less than 6 months, and 41% of nucleotide-level predictions from the winning model were within experimental error of the ground truth measurement. Furthermore, these models generalized to blindly predicting orthogonal degradation data on much longer mRNA molecules (504-1588 nucleotides) with improved accuracy compared to previously published models. Top teams integrated natural language processing architectures and data augmentation techniques with predictions from previous dynamic programming models for RNA secondary structure. These results indicate that such models are capable of representing in-line hydrolysis with excellent accuracy, supporting their use for designing stabilized messenger RNAs. The integration of two crowdsourcing platforms, one for data set creation and another for machine learning, may be fruitful for other urgent problems that demand scientific discovery on rapid timescales.
翻译:以RNA为主的药物具有巨大的潜力,这表现在它们作为COVID-19疫苗的迅速部署。然而,MRNA分子的可移动性限制了其在全世界的分布,因为分子的可移动性有限,因为RNA分子的内在不稳定性从根本上限制了这种分子的内在降解反应,即所谓的线内水解。预测RNA分子的降解是设计更稳定的RNA治疗方法的关键任务。这里,我们描述了在Kaggle上由多方组成的机器学习竞赛(“斯坦福·开放Vaccine”),其中包括对6043 102-130-Nucleotide多样化的RNA分子进行单核酸分辨率测量,这些分子本身通过RNA设计平台Eterna的众包索求而得到的。整个实验在不到6个月的时间里完成,而中41%的核分裂水平预测是在地面真理测量的实验错误中完成的。此外,这些模型在更长的 mRNA分子(504-1588 nucleocide) 分子的快速解解析数据模型(504-158 ) 中,这些模型的精确性研究本身通过RNA 的快速解析分析模型与先前的精确分析模型的精确化模型的精确化模型,这些模型的精确性模型,这些模型的精确性模型是用来预测。