Comparative analysis of the use of chemoinformatics-based and substructure-based descriptors for quantitative structure-activity relationship (QSAR) modeling
Thashmee Karunaratne, Henrik Boström, Ulf Norinder · Intelligent Data Analysis · 2013
Quantitative structure-activity relationship (QSAR) models have gained popularity in the pharmaceutical industry due to their potential to substantially decrease drug development costs by reducing expensive laboratory and clinical tests. QSAR modelin