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r37980778c78--a0c8014673dd3a07e595b4fc167c20b0
Mean classification accuracies obtained by combining all data features together, after dimensionality reduction based on Principal Component Analysis (PCA Based combination),... -
Comparative Studies on Some Metrics for External Validation of QSPR Models
Quantitative structure–property relationship (QSPR) models used for prediction of property of untested chemicals can be utilized for prioritization plan of synthesis and... -
r37980778c78--e52f9b2b1937a6da1fd170243cd1e548
Over the past decade, the application of liquid chromatography-high resolution mass spectroscopy (LC-HRMS) has been growing extensively due to its ability to analyze a wide... -
r37980778c78--efeff62dd9cc1aaf418d987c612b1353
Quantitative structure–property relationship (QSPR) models used for prediction of property of untested chemicals can be utilized for prioritization plan of synthesis and... -
r37980778c78--ac66681c2ad0fc8b76b9d6e8d797950f
A united chemical thermodynamic model, that is, the COSMO-UNIFAC model, was first proposed to predict the phase equilibrium of multicomponent systems in which the UNIFAC model... -
Mean accuracies obtained by classifiers that provide inbuilt multiclass funct...
Lower and upper limits for the 95% bootstrap confidence intervals are also reported. 0.333 is the expected accuracy when no real predictive power is present. -
r37980778c78--3c9b9f1612d2f2d53125987a7ed3881a
Quantitative structure–property relationship (QSPR) models used for prediction of property of untested chemicals can be utilized for prioritization plan of synthesis and... -
r37980778c78--3c4713566b3bfcec4a6efa4b26c89ccc
Mean accuracy rate and area under the receiver operating curve (AUC) for the eight classifiers on VBM grey matter. -
r37980778c78--bdfbc5959d709eb08f23e499af3ca203
Lower and upper limits for the 95% bootstrap confidence intervals are also reported. 0.333 is the expected accuracy when no real predictive power is present. -
r37980778c78--ec1cf69dd349308beb2c93238830afa0
Demographic and clinical characteristics of samples of both patient groups and of healthy controls. -
Evaluation of machine learning algorithms and structural features for optimal...
A relatively large number of studies have investigated the power of structural magnetic resonance imaging (sMRI) data to discriminate patients with schizophrenia from healthy... -
Comprehensive Detailed Chemical Kinetic Modeling Study of Toluene Oxidation
A detailed chemical kinetic model containing 329 species and 1888 reversible reactions has been developed to describe the oxidation of toluene and its intermediates. The model... -
r37980778c78--35d4a680cb7604992e8b656b1c4f877e
Quantitative structure–property relationship (QSPR) models used for prediction of property of untested chemicals can be utilized for prioritization plan of synthesis and... -
r37980778c78--f6106efd7831e2e332f95807741904b7
Quantitative structure–property relationship (QSPR) models used for prediction of property of untested chemicals can be utilized for prioritization plan of synthesis and...
