ReviewThe Journal of organic chemistry2026
Best Practices and Considerations for Applying Multiple Linear Regression in Organic Chemistry Research.
Review in The Journal of organic chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Authors and funding
5 authors.
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Abstract
This Synopsis provides guidance for designing and executing Multiple Linear Regression (MLR) campaigns in organic chemistry. It outlines key steps of a robust workflow for accelerating reaction outcome prediction and maintaining interpretability, including data preparation, feature generation, data distribution analysis, model building, validation, and virtual screening. Emphasis is placed on defining a clear chemical objective and establishing mechanistic hypotheses. Representative examples illustrate how data size and distribution guide data splitting strategies and ratios, ultimately shaping model reliability and interpretability.
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Registered trials
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