Consistent Quantitative Reporting in Medicinal Chemistry

Le résumé fourni par la source

RecommendationsM edicinal chemistry is a discipline grounded in quantitative data.Decision-making relies on the correct use and presentation of values derived from experimental and theoretical methods.Biological assays dominate early drug discovery and frequently provide critical guidance for the optimization of a drug candidate.Structure-activity relationships (SARs) are often developed based on specific structural elements or functional groups that correlate with improvements in potency or other key aspects of a target profile.Uncertainties are introduced at all points of the experimental process, from weighing of a sample, to errors inherent in biological measurements.Accurate interpretation of these data requires careful reporting of measured values, associated uncertainties, and the variability inherent to biological measurements, all of which are essential for producing trustworthy and reproducible publications.Research published in the Journal of Medicinal Chemistry is widely regarded as reliable and trustworthy, in part due to the high standards imposed on authors for reporting experimental data.The Editorial Board has observed an increasing number of submissions in which authors report data inappropriately or in a manner that is misleading.It is important to remind authors that significant figures, variability metrics, and the graphical presentation of dose-response curves each carry important weight in interpreting results, and consistent reporting is critical for maintaining the credibility and reproducibility of published studies.This editorial identifies three areas where reporting practices in the field warrants attention and clear standards: the use of appropriate numbers of significant figures for potency measurements, the selection and correct interpretation of variability metrics including standard deviation, standard error, and confidence intervals, as well as the graphical presentation and analysis of dose-response data.Our intent is to provide actionable guidance that authors, reviewers, and editors can apply consistently, with the goal of acknowledging error and ensuring that we are reporting data that leads to better, and more consistent interpretation. ■ SIGNIFICANT FIGURESSignificant figures are the digits in a reported numerical value that carry meaningful information about the precision of the measurement from which that value was obtained.They include all certain digits plus one estimated digit, reflecting the resolution of the instrument or method used.Reporting more digits than the measurement can support implies a level of precision that does not exist, while reporting too few discards information that may be relevant to interpretation.

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