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Toward Generating Simpler QSAR Models: Nonlinear Multivariate Regression versus Several Neural Network Ensembles and Some Related Methods
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Evolutionary variable selection in regression and PLS analyses
inferredcites →https://doi.org/10.1016/b978-0-12-213810-2.x5000-2openalex-snapshot
Genetic Algorithms in Molecular Modeling
inferredcites →https://doi.org/10.1016/s0097-8485(99)00059-5openalex-snapshot
A comparative QSAR study of benzamidines complement–inhibitory activity and benzene derivatives acute toxicity
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Neural network studies. 1. Comparison of overfitting and overtraining
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Unsupervised Forward Selection: A Method for Eliminating Redundant Variables
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Neural Network Studies. 2. Variable Selection
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Neural Network Studies. 3. Variable Selection in the Cascade-Correlation Learning Architecture
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Nonlinear Multivariate Regression Outperforms Several Concisely Designed Neural Networks on Three QSPR Data Sets
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Structure-activity relationships of antifilarial antimycin analogs: a multivariate pattern recognition study
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Synthesis and structure-activity relationships of new 7-[3-(fluoromethyl)piperazinyl]- and -(fluorohomopiperazinyl)quinolone antibacterials
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Cyclization-activated prodrugs. Basic esters of 5-bromo-2'-deoxyuridine
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Quantitative Structure Property Relations (QSPR) for Predicting Molar Diamagnetic Susceptibilities, χm, of Inorganic Compounds
inferred← citeshttps://doi.org/10.1002/qsar.200330860openalex-snapshot
Status of HTS Data Mining Approaches
inferred← citeshttps://doi.org/10.1002/qsar.200860006openalex-snapshot
QSAR Modeling of HIV‐1 Protease Inhibition on Six‐ and Seven‐membered Cyclic Ureas
inferred← citeshttps://doi.org/10.1007/s11047-004-5237-8openalex-snapshot
Evolutionary Algorithms in Drug Design
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.06.036openalex-snapshot
QSAR modeling of anti-invasive activity of organic compounds using structural descriptors
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Applying data mining techniques to library design, lead generation and lead optimization
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Automatic feature subset selection for decision tree-based ensemble methods in the prediction of bioactivity
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Prediction of enzyme activity with neural network models based on electronic and geometrical features of substrates
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Use of Variable Selection in Modeling the Secondary Structural Content of Proteins from Their Composition of Amino Acid Residues
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Inhibition of the Tyrosine Kinase, Syk, Analyzed by Stepwise Nonparametric Regression
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QSPR Using MOLGEN-QSPR: The Example of Haloalkane Boiling Points
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Ensemble Methods for Classification in Cheminformatics
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Predicting Physical−Chemical Properties of Compounds from Molecular Structures by Recursive Neural Networks
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Melting Point Prediction Employing k -Nearest Neighbor Algorithms and Genetic Parameter Optimization
inferred← citeshttps://doi.org/10.1021/ci100169popenalex-snapshot
Jackknife-Based Selection of Gram−Schmidt Orthogonalized Descriptors in QSAR
inferred← citeshttps://doi.org/10.1021/ci600476ropenalex-snapshot
Stochastic versus Stepwise Strategies for Quantitative Structure−Activity Relationship GenerationHow Much Effort May the Mining for Successful QSAR Models Take?
inferred← citeshttps://doi.org/10.1021/ci7003237openalex-snapshot
Fuzzy Tricentric Pharmacophore Fingerprints. 2. Application of Topological Fuzzy Pharmacophore Triplets in Quantitative Structure−Activity Relationships
inferred← citeshttps://doi.org/10.1100/tsw.2009.131openalex-snapshot
Comparison of Quantitative Structure-Activity Relationship Model Performances on Carboquinone Derivatives
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Semantic Computing and Drug Discovery - A Preliminary Report
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Predictive methods as a powerful tool in drug discovery
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CYCLICITY ANALYSIS OF AMINO-ACIDS ON TYPE I COLLAGEN CHAINS
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Computational Intelligence Methods for Docking Scores
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Les triplets pharmacophoriques flous : développement et applications
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