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Predicting skin permeability from complex chemical mixtures: incorporation of an expanded QSAR modelUsing decision forest to classify prostate cancer samples on the basis of SELDI-TOF MS data: assessing chance correlation and prediction confidence.QSAR study of skin sensitization using local lymph node assay dataMolecular ChemometricsProteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small moleculesInterpretable correlation descriptors for quantitativestructure-activity relationshipsPrediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small moleculesReliable estimation of prediction errors for QSAR models under model uncertainty using double cross-validationDPRESS: Localizing estimates of predictive uncertaintyAntiprotozoal Nitazoxanide Derivatives: Synthesis, Bioassays and QSAR Study Combined with Docking for Mechanistic Insight.Improving the usefulness of molecular similarity-based chemical prioritization strategies.Host genetics and Chlamydia disease: prediction and validation of disease severity mechanisms.A Conversation on Data Mining Strategies in LC-MS Untargeted Metabolomics: Pre-Processing and Pre-Treatment StepsAssessing performance of prediction rules in machine learning.Natriuretic peptides in the detection of preclinical diastolic or systolic dysfunction.Application of NMR-based metabolomics to the investigation of salt stress in maize (Zea mays).A DXA-based mathematical model predicts midthigh muscle mass from magnetic resonance imaging in typically developing children but not in those with quadriplegic cerebral palsy.Computational analysis of HIV-1 protease protein binding pockets.Reliably assessing prediction reliability for high dimensional QSAR data.Exploring novel KDR inhibitors based on pharmaco-informatics methodology.Electrochemical properties of substituted 2-methyl-1,4-naphthoquinones: redox behavior predictions.Natural bacterial communities serve as quantitative geochemical biosensors.The pattern of trabecular bone microarchitecture in the distal femur of typically developing children and its effect on processing of magnetic resonance images.The DIONESUS algorithm provides scalable and accurate reconstruction of dynamic phosphoproteomic networks to reveal new drug targets.Estimating Ixodes ricinus densities on the landscape scale.Chemocentric informatics approach to drug discovery: identification and experimental validation of selective estrogen receptor modulators as ligands of 5-hydroxytryptamine-6 receptors and as potential cognition enhancers.Profiling the metabolome changes caused by cranberry procyanidins in plasma of female rats using (1) H NMR and UHPLC-Q-Orbitrap-HRMS global metabolomics approaches.Predicting Methylphenidate Response in ADHD Using Machine Learning ApproachesQSPR studies on aqueous solubilities of drug-like compounds.A support vector machine model provides an accurate transcript-level-based diagnostic for major depressive disorder.High-throughput measurement, correlation analysis, and machine-learning predictions for pH and thermal stabilities of Pfizer-generated antibodies.Model Selection in Continuous Test Norming With GAMLSS.The recent progress in proteochemometric modelling: focusing on target descriptors, cross-term descriptors and application scope.Novel peptide-specific quantitative structure-activity relationship (QSAR) analysis applied to collagen IV peptides with antiangiogenic activity.Hyaluronidase Inhibitory Activity of Pentacylic Triterpenoids from Prismatomeris tetrandra (Roxb.) K. Schum: Isolation, Synthesis and QSAR Study.Machine Learning Principles Can Improve Hip Fracture Prediction.Thermal Time Model for Egyptian Broomrape (Phelipanche aegyptiaca) Parasitism Dynamics in Carrot (Daucus carota L.): Field Validation.A strategy for simultaneous determination of fatty acid composition, fatty acid position, and position-specific isotope contents in triacylglycerol matrices by 13C-NMR.A Large-Scale Empirical Evaluation of Cross-Validation and External Test Set Validation in (Q)SAR.
P2860
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P2860
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年学术文章
@wuu
2003年学术文章
@zh
2003年学术文章
@zh-cn
2003年学术文章
@zh-hans
2003年学术文章
@zh-my
2003年学术文章
@zh-sg
2003年學術文章
@yue
2003年學術文章
@zh-hant
name
Assessing model fit by cross-validation.
@en
Assessing model fit by cross-validation.
@nl
type
label
Assessing model fit by cross-validation.
@en
Assessing model fit by cross-validation.
@nl
prefLabel
Assessing model fit by cross-validation.
@en
Assessing model fit by cross-validation.
@nl
P2093
P356
P1433
P1476
Assessing model fit by cross-validation.
@en
P2093
Denise Mills
Douglas M Hawkins
Subhash C Basak
P304
P356
10.1021/CI025626I
P577
2003-03-01T00:00:00Z