How to correctly develop q-RASAR models for predictive cheminformatics

Arkaprava Banerjee, Kunal Roy

2024Expert Opinion on Drug Discovery25 citationsDOI

Abstract

1. One of the earliest and simplest forms of in silico predictive cheminformatics is the Quantitative Structure-Activity Relationship (QSAR). This algorithm aims to develop a mathematical model tha...

Topics & Concepts

CheminformaticsComputer scienceComputational biologyMachine learningArtificial intelligenceData scienceBioinformaticsBiologyComputational Drug Discovery MethodsSpectroscopy and Chemometric Analyses