What statistical techniques do QSAR models use? As we have seen in the previous entries, QSAR models allow predicting properties or activities of molecules, and are obtained from the analysis of molecular descriptors with statistical and/ or machine learning techniques. QSAR models can be used qualitatively to classify a substance, for example as a skin irritant or non-irritant. They can also help us to calculate exact numerical values i.e., we may build quantitative models, for example, to calculate how many days it takes for a substance to degrade. As we saw in the entry on computational methods, the first type of models is known as classification models, while the second […]