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Pfizer Inc inhouse dataset
Inhouse Dataset, supplied by Pfizer Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/inhouse+dataset/in+house+data/pm37272922-77-35-34
Average 90 stars, based on 1 article reviews
inhouse dataset - by Bioz Stars, 2026-10
90/100 stars

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Article Title: S N Ar Regioselectivity Predictions: Machine Learning Triggering DFT Reaction Modeling through Statistical Threshold.
Article Snippet: Fast and accurate prospective predictions of regioselectivity can significantly reduce the time and resources spent on unproductive transformations in the pharmaceutical industry.. Density functional theory (DFT) reaction modeling through transition state theory (TST) and machine learning (ML) methods has been widely used to predict reaction outcomes such as selectivity.. However, TST reaction modeling and ML methods are either timeconsuming or data-dependent.



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