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methodological error 23 scaffoldbased splitting  (Bemis Inc)

 
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    Structured Review

    Bemis Inc methodological error 23 scaffoldbased splitting
    Methodological Error 23 Scaffoldbased Splitting, supplied by Bemis Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/split/23+error+methodological+scaffoldbased+splitting/pm42300227-17-29-33
    Average 86 stars, based on 1 article reviews
    methodological error 23 scaffoldbased splitting - by Bioz Stars, 2026-09
    86/100 stars

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    Related Articles

    Biomarker Discovery:

    Article Title: [2508.02137] Fitness aligned structural modeling enables scalable virtual screening with AuroBind
    Article Snippet: .. • Validation: 4 % complexes held out by scaffold split (Bemis‐Murcko) and ≤ 40 % protein identity. ..

    Activity Assay:

    Article Title: Accurately Predicting Solubility Curves via a Thermodynamic Cycle, Machine Learning, and Solvent Ensembles.
    Article Snippet: .. Deviations between the model predictions and the experimental enthalpies of fusion and melting points are reasonable for most molecules given the expected experimental uncertainty, unaccounted polymorphic effects, and human errors in data recording57 and are comparable to others models reported in literature.40,57−61 For the activity coefficient model, a 10% scaffold-split test set (Bemis-Murcko scaffolding on the solutes as implemented in Chemprop56) from gamma_exp_DB was used for evaluation. ..

    Scaffolding:

    Article Title: Accurately Predicting Solubility Curves via a Thermodynamic Cycle, Machine Learning, and Solvent Ensembles.
    Article Snippet: .. Deviations between the model predictions and the experimental enthalpies of fusion and melting points are reasonable for most molecules given the expected experimental uncertainty, unaccounted polymorphic effects, and human errors in data recording57 and are comparable to others models reported in literature.40,57−61 For the activity coefficient model, a 10% scaffold-split test set (Bemis-Murcko scaffolding on the solutes as implemented in Chemprop56) from gamma_exp_DB was used for evaluation. ..

    other:

    Article Title: [2102.09548] Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
    Article Snippet: While time information is usually unavailable for many datasets, one way to approximate the similar effect is via scaffold split, where it forces training and test set have distant molecular structures (Bemis & Murcko 1996).

    Article Title: Feature engineered embeddings for classification of molecular data.
    Article Snippet: 13 A scaffold split attempts to separate molecules according to their structure such that structurally different molecules will be in different subsets (Bemis and Murcko, 1996).

    Article Title: Nicotiana benthamiana XYLEM CYSTEINE PROTEASE genes facilitate tracheary element formation in interfamily grafting
    Article Snippet: The V-shaped stem was inserted into a middle-split stem and fixed using wrapping film (Bemis Parafilm M) or clip to form a graft union.



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