The Development of Predictive Models for Non-Acidic Lubricity Agents (NALA) using Quantitative Structure Activity Relationships (QSAR)

Abstract

This study describes the use of Quantitative Structure Activity Relationships (QSAR) to develop predictive models for non-acidic Lubricity agents. The work demonstrates the importance of separating certain chemical families to give better and more robust equations rather than grouping a whole data set together. These models can then be used as important tools in further development work by predicting activities of new compounds before actual synthesis/testing.