Department of Computer Engineering, Chosun University, Gwangju 61452, Korea.
Department of Bio and Brain Engineering, KAIST, Daejeon 34141, Korea.
Curr Issues Mol Biol. 2021 Oct 9;43(3):1489-1501. doi: 10.3390/cimb43030105.
It is of utmost importance to develop a computational method for accurate prediction of antioxidants, as they play a vital role in the prevention of several diseases caused by oxidative stress. In this correspondence, we present an effective computational methodology based on the notion of deep latent space encoding. A deep neural network classifier fused with an auto-encoder learns class labels in a pruned latent space. This strategy has eliminated the need to separately develop classifier and the feature selection model, allowing the standalone model to effectively harness discriminating feature space and perform improved predictions. A thorough analytical study has been presented alongwith the PCA/tSNE visualization and PCA-GCNR scores to show the discriminating power of the proposed method. The proposed method showed a high MCC value of 0.43 and a balanced accuracy of 76.2%, which is superior to the existing models. The model has been evaluated on an independent dataset during which it outperformed the contemporary methods by correctly identifying the novel proteins with an accuracy of 95%.
开发一种准确预测抗氧化剂的计算方法至关重要,因为它们在预防由氧化应激引起的多种疾病方面发挥着重要作用。在本通信中,我们提出了一种基于深度潜在空间编码概念的有效计算方法。深度神经网络分类器与自动编码器融合,在修剪后的潜在空间中学习类别标签。这种策略消除了分别开发分类器和特征选择模型的需要,使独立模型能够有效地利用判别特征空间并进行改进的预测。提出了一种全面的分析研究,以及 PCA/tSNE 可视化和 PCA-GCNR 分数,以显示所提出方法的判别能力。所提出的方法表现出 0.43 的高 MCC 值和 76.2%的平衡准确性,优于现有模型。该模型在独立数据集上进行了评估,在正确识别新型蛋白质的准确率为 95%方面,它优于当代方法。