# Classification of Acid and Alkaline Enzymes Based on Normalized Van der Waals Volume Features

**Authors:** Hao Wan, Quan Zou, Yanan Zhang

PMC · DOI: 10.1002/prca.70009 · 2025-05-31

## TL;DR

This paper introduces a computational method to classify acidic and alkaline enzymes based on a specific volume feature, which could help improve their use in food and environmental industries.

## Contribution

The novel contribution is the identification of normalized Van der Waals volume (nFeat43) as a key feature for enzyme classification.

## Key findings

- The normalized Van der Waals volume (nFeat43) achieved 76.2% accuracy in classifying acidic and alkaline enzymes.
- nFeat43 is a significant physicochemical feature for distinguishing enzyme types based on pH stability.

## Abstract

Acidic and alkaline enzymes play crucial roles in the food industry and environmental management. This study aims to develop a computational method for accurately distinguishing between acidic and alkaline enzymes to enhance their stability in varying pH environments.

We employed AutoProp for feature extraction and the MRMD3.0 algorithm for feature selection. The most discriminative feature, the normalized Van der Waals volume (nFeat43), was identified and used for classification.

The selected feature (nFeat43) achieved a classification accuracy of 76.2% in distinguishing acidic from alkaline enzymes. Further analysis was conducted to interpret the physicochemical significance of this feature in enzyme discrimination.

Our findings demonstrate that nFeat43 is a key determinant in differentiating acidic and alkaline enzymes. This method provides a rapid and reliable computational approach for enzyme characterization, which could aid in industrial and environmental applications.

## Full-text entities

- **Chemicals:** Acid (MESH:D000143)

## Figures

3 figures with captions in the complete paper: https://tomesphere.com/paper/PMC12278035/full.md

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Source: https://tomesphere.com/paper/PMC12278035