Write in a clean editor, then format for Quantitative Structure-Activity Relationships in one click — DocuGuru applies the official Wiley template with author–year references and exports a submission-ready PDF plus the editable LaTeX source. Free to start.
Quantitative Structure-Activity Relationships is a peer-reviewed journal published by Wiley, covering Computational Drug Discovery Methods, Analytical Chemistry and Chromatography, Free Radicals and Antioxidants.
| Publisher | Wiley |
|---|---|
| Reference style | Author–year (Chicago) Author–year — (Smith, 2023) in the text Smith, Ada, Ben Jones, and Cara Lee. 2023. "A Representative Article Title." Quantitative Structure-Activity Relationships 12 (3): 45–58.
Formats any DOI in Quantitative Structure-Activity Relationships style. No sign-up. |
| Publishes research in | Computational Drug Discovery Methods Analytical Chemistry and Chromatography Free Radicals and Antioxidants Molecular spectroscopy and chirality Spectroscopy and Chemometric Analyses |
| ISSN | 0931-8771 |
| h-index | 60 |
| i10-index | 360 |
| Total citations | 17,574 |
| Top institutions publishing here | Umeå University |
| You get | A submission-ready PDF and the editable LaTeX source — ready to submit. |
Citations each year’s papers have accumulated so far — the most recent years are still building up.
Abstract To better evaluate, in the context of QSAR studies, new validation techniques such as bootstrapping and crossvalidation and the new analytic technique of partial least squares (PLS), seventeen QSAR results taken from nine recent publications were reexamined using these techniques. The results indicate that bootstrapping and crossvalidation are more powerful indicators of possible chance…
Abstract An advanced variable selection procedure, called GOLPE, aimed at obtaining PLS regression models with the highest prediction ability is presented and illustrated with an application in 3D‐QSAR. Key steps in the procedure are a preliminary variable selection by means of a D‐optimal design in the loading space, and an iterative evaluation of the effects…
Abstract A new algorithm is presented to analyze the structural features relevant to the biological activity of a set of molecules. The program called MULTICASE can, as its predecessor CASE (Computed Automated Structure Evaluator), automatically identify molecular sub‐structures that have a high probability of being relevant or responsible for the observed biological activity of a…
Abstract The frequency of chance correlation using partial least squares (PLS) has been measured experimentally for variously dimensioned data, comprising either completely random numbers, random numbers containing a perfect correlation within, and CoMFA field descriptors. This frequency, much lower than that for stepwise multiple regression, is maximal for datasets in which the number of descriptors…
