Quantitative structure–activity relationship (QSAR) models are regression or classification models used in the chemical and biological sciences and engineering [1].

Aug 13, 2024 · Quantitative structure-activity relationship (QSAR) models mathematically link a chemical compound’s structure to its biological activity or properties. These models operate on …

QSAR models are complex mathematical algorithms that facilitate and accelerate an important task in fields such as chemistry or drug development: the predictive evaluation of the …

Quantitative structure–activity relationship (QSAR) dates back to the nineteenth century and is a computer-based tool that attempts to correlate variations in structural or molecular properties …

Quantitative Structure Activity Relationship (QSAR) models are theoretical models that relate a quantitative measure of chemical structure to a physical property, or a biological activity

Dec 8, 2023 · Quantitative structure–activity relationship (QSAR) modelling, an approach that was introduced 60 years ago, is widely used in computer-aided drug design.

QsarDB is a smart repository for (Q)SAR/QSPR models and datasets, ready for discovery, exploring, and citing.

To increase the regulatory acceptance of (Q)SAR methods, the OECD is developing a QSAR Toolbox to make (Q)SAR technology readily accessible, transparent, and less demanding in …

In this section we will explore the methodology for designing a QSAR model in some detail, present the ideas and statistical concepts behind the QSAR model, the rules that need to be …

Aug 2, 2025 · Explore QSAR, a computational method that predicts how molecular structures influence biological activity and behavior, revealing its scientific significance.