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Machine Learning-Enhanced Quantitative Structure-Activity Relationship Modeling for DNA Polymerase Inhibitor Discovery: Algorithm Development and Validation. [PDF]

JMIR AI
Kakraba S, Ayyadevara S, Yadem Clement A, Abraham KE, Compadre CM, Shmookler Reis RJ.   +5 more
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Penalized isotonic regression

Journal of Statistical Planning and Inference, 2015
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Wu, Jiwen, Meyer, Mary C., Opsomer, Jean D.   +2 more
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Trimmed Mean Isotonic Regression

Scandinavian Journal of Statistics, 2015
AbstractThe trimmed mean is well‐known in literature for being more robust and for having better efficiency than the sample mean when data is generated from heavy‐tailed distributions. In this article, the trimmed mean in the isotonic regression setup is proposed, and the asymptotic as well as the robustness properties of the estimator are studied. The
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Testing Constancy for Isotonic Regressions

Scandinavian Journal of Statistics, 2006
Abstract.  In this paper, we propose a bootstrap method for testing the constancy of an isotonic regression. The technique we develop is completely non‐parametric and enlarges the appli‐cability of the classical chi‐bar‐squared tests, which require normality assumptions. We prove that our procedure is asymptotically correct and consistent. Moreover, by
Colubi, Ana, Domínguez-Menchero, J. Santos, Gonzáles-Rodrígues, Gil   +2 more
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Reliably Calibrated Isotonic Regression

2021
Using classifiers for decision making requires well-calibrated probabilities for estimation of expected utility. Furthermore, knowledge of the reliability is needed to quantify uncertainty. Outputs of most classifiers can be calibrated, typically by using isotonic regression that bins classifier outputs together to form empirical probability estimates.
Otto Nyberg, Arto Klami
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Isotonic Smoothing Spline Regression

Journal of Computational and Graphical Statistics, 2008
This article considers the monotone smoothing spline regression problem. We add, as the smoothness penalty term, the integral of the squared second derivative of the regression function. The objective function is minimized over the space of natural cubic splines with knots at the design points.
Xiao Wang, Feng Li
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Additive isotonic regression models in epidemiology

Statistics in Medicine, 2000
Stone's method for assessing disease risk around a point source through isotonic regression is routinely used in spatial epidemiology. It is useful in situations where the relationship of risk with exposure (distance being commonly used as a surrogate variable) is assumed monotonic but otherwise of unknown form.
T, Morton-Jones, P, Diggle, L, Parker, H O, Dickinson, K, Binks   +4 more
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Unimodal regression via prefix isotonic regression

Computational Statistics & Data Analysis, 2008
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