Institute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China, Chengdu 610054, China.
Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, UK.
Bioinformatics. 2020 Jul 1;36(13):3982-3987. doi: 10.1093/bioinformatics/btaa275.
Peptide is a promising candidate for therapeutic and diagnostic development due to its great physiological versatility and structural simplicity. Thus, identifying therapeutic peptides and investigating their properties are fundamentally important. As an inexpensive and fast approach, machine learning-based predictors have shown their strength in therapeutic peptide identification due to excellences in massive data processing. To date, no reported therapeutic peptide predictor can perform high-quality generic prediction and informative physicochemical properties (IPPs) identification simultaneously.
In this work, Physicochemical Property-based Therapeutic Peptide Predictor (PPTPP), a Random Forest-based prediction method was presented to address this issue. A novel feature encoding and learning scheme were initiated to produce and rank physicochemical property-related features. Besides being capable of predicting multiple therapeutics peptides with high comparability to established predictors, the presented method is also able to identify peptides' informative IPP. Results presented in this work not only illustrated the soundness of its working capacity but also demonstrated its potential for investigating other therapeutic peptides.
https://github.com/YPZ858/PPTPP.
Supplementary data are available at Bioinformatics online.
由于肽具有出色的生理多功能性和结构简单性,因此它是治疗和诊断开发的有前途的候选物。因此,鉴定治疗性肽并研究其特性非常重要。作为一种廉价且快速的方法,基于机器学习的预测器由于在处理大量数据方面的优势,在治疗性肽鉴定中显示出了其强大的能力。迄今为止,尚无报道的治疗性肽预测器能够同时进行高质量的通用预测和信息丰富的物理化学特性(IPPs)鉴定。
在这项工作中,提出了基于物理化学性质的治疗性肽预测器(PPTPP),这是一种基于随机森林的预测方法,用于解决这个问题。提出了一种新颖的特征编码和学习方案,以生成和对与物理化学性质相关的特征进行排序。除了能够以与现有预测器高度可比的方式预测多种治疗性肽外,所提出的方法还能够鉴定肽的信息丰富的 IPP。本工作中呈现的结果不仅说明了其工作能力的合理性,而且还展示了其用于研究其他治疗性肽的潜力。
https://github.com/YPZ858/PPTPP。
补充数据可在“Bioinformatics”在线获取。