Nare and Junjun presenting

Title: Building QSAR/QSPR models

Abstract:

QSAR/QSPR is a modeling approach for estimating a chemical's properties or biological activity based on a broad range of real and theoretical descriptors. The premise is that chemicals with similar structure or molecular properties tend to interact with a biological system in a similar manner, therefore it should be feasible to build a predictive model for toxicity or other properties of interest utilizing inductive reasoning or concept learning.

Many challenges and decisions arise when building QSAR/QSPR models, including...