School of Mathematical Sciences and LPMC, Nankai University, Tianjin 300071, China.
Department of Computer Science, Virginia Commonwealth University, Richmond, VA 23284, USA.
Biomolecules. 2020 Jun 7;10(6):876. doi: 10.3390/biom10060876.
Computational prediction of ion channels facilitates the identification of putative ion channels from protein sequences. Several predictors of ion channels and their types were developed in the last quindecennial. While they offer reasonably accurate predictions, they also suffer a few shortcomings including lack of availability, parallel prediction mode, single-label prediction (inability to predict multiple channel subtypes), and incomplete scope (inability to predict subtypes of the voltage-gated channels). We developed a first-of-its-kind PSIONplus method that performs sequential multi-label prediction of ion channels and their subtypes for both voltage-gated and ligand-gated channels. PSIONplus sequentially combines the outputs produced by three support vector machine-based models from the PSIONplus predictor and is available as a webserver. Empirical tests show that PSIONplus outperforms current methods for the multi-label prediction of the ion channel subtypes. This includes the existing single-label methods that are available to the users, a naïve multi-label predictor that combines results produced by multiple single-label methods, and methods that make predictions based on sequence alignment and domain annotations. We also found that the current methods (including PSIONplus) fail to accurately predict a few of the least frequently occurring ion channel subtypes. Thus, new predictors should be developed when a larger quantity of annotated ion channels will be available to train predictive models.
计算预测离子通道有助于从蛋白质序列中鉴定可能的离子通道。在过去的十五年中,已经开发出了几种离子通道及其类型的预测器。虽然它们提供了相当准确的预测,但也存在一些缺点,包括缺乏可用性、并行预测模式、单标签预测(无法预测多个通道亚型)和不完整的范围(无法预测电压门控通道的亚型)。我们开发了一种首创的 PSIONplus 方法,该方法可对电压门控和配体门控通道的离子通道及其亚型进行顺序多标签预测。PSIONplus 顺序组合了来自 PSIONplus 预测器的三个基于支持向量机的模型的输出,并作为网络服务器提供。经验测试表明,PSIONplus 在离子通道亚型的多标签预测方面优于当前方法。这包括当前提供给用户的单标签方法、一种组合多个单标签方法结果的简单多标签预测器,以及基于序列比对和域注释进行预测的方法。我们还发现,目前的方法(包括 PSIONplus)无法准确预测少数出现频率最低的离子通道亚型。因此,当有更多带注释的离子通道可用于训练预测模型时,应该开发新的预测器。