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Nonlinear Prediction of Quantitative Structure−Activity Relationships

https://doi.org/10.1021/ci034255i
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/jcc.540070419openalex-snapshot
Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity
inferredcites →https://doi.org/10.1002/jps.2600690938openalex-snapshot
Substituent Constants for Correlation Analysis in Chemistry and Biology.
inferredcites →https://doi.org/10.1007/978-1-4612-0745-0openalex-snapshot
Bayesian Learning for Neural Networks
inferredcites →https://doi.org/10.1007/978-94-011-5014-9_23openalex-snapshot
Prediction with Gaussian Processes: From Linear Regression to Linear Prediction and Beyond
inferredcites →https://doi.org/10.1016/0893-6080(89)90020-8openalex-snapshot
Multilayer feedforward networks are universal approximators
inferredcites →https://doi.org/10.1016/0893-6080(91)90009-topenalex-snapshot
Approximation capabilities of multilayer feedforward networks
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s0223-5234(97)82764-xopenalex-snapshot
Octanol-water partition coefficients: Fundamentals and physical chemistry
inferredcites →https://doi.org/10.1016/s0893-6080(05)80056-5openalex-snapshot
A scaled conjugate gradient algorithm for fast supervised learning
inferredcites →https://doi.org/10.1021/ci00063a006openalex-snapshot
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
inferredcites →https://doi.org/10.1021/ci00063a007openalex-snapshot
Review of ring perception algorithms for chemical graphs
inferredcites →https://doi.org/10.1023/a:1011107422318openalex-snapshot
Substructure and whole molecule approaches for calculating log P
inferredcites →https://doi.org/10.1093/oso/9780198538493.001.0001openalex-snapshot
Neural Networks for Pattern Recognition
inferredcites →https://doi.org/10.1109/ijcnn.1989.118640openalex-snapshot
Universal approximation using feedforward networks with non-sigmoid hidden layer activation functions
inferredcites →https://doi.org/10.1162/089976602317250933openalex-snapshot
Sparse On-Line Gaussian Processes
inferredcites →https://doi.org/10.1162/neco.1991.3.1.79openalex-snapshot
Adaptive Mixtures of Local Experts
inferredcites →https://doi.org/10.56021/9781421407944openalex-snapshot
Matrix Computations
inferredcites →https://doi.org/10.5860/choice.31-5500openalex-snapshot
Neural networks for pattern recognition

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/chin.200448206openalex-snapshot
Nonlinear Prediction of Quantitative Structure—Activity Relationships.
inferred← citeshttps://doi.org/10.1002/cmdc.200700041openalex-snapshot
Predicting Lipophilicity of Drug‐Discovery Molecules using Gaussian Process Models
inferred← citeshttps://doi.org/10.1002/jcc.21190openalex-snapshot
Prediction of human cytochrome P450 2B6‐substrate interactions using hierarchical support vector regression approach
inferred← citeshttps://doi.org/10.1007/978-3-540-36122-0_10openalex-snapshot
A Gradient-Based Forward Greedy Algorithm for Space Gaussian Process Regression
inferred← citeshttps://doi.org/10.1007/s00726-008-0228-1openalex-snapshot
Gaussian process: an alternative approach for QSAM modeling of peptides
inferred← citeshttps://doi.org/10.1007/s10822-008-9193-8openalex-snapshot
Automatic QSAR modeling of ADME properties: blood–brain barrier penetration and aqueous solubility
inferred← citeshttps://doi.org/10.1007/s10822-020-00279-0openalex-snapshot
A comparison of molecular representations for lipophilicity quantitative structure–property relationships with results from the SAMPL6 logP Prediction Challenge
inferred← citeshttps://doi.org/10.1016/j.aca.2011.02.004openalex-snapshot
Prediction of P2Y12 antagonists using a novel genetic algorithm-support vector machine coupled approach
inferred← citeshttps://doi.org/10.1016/j.asoc.2010.08.016openalex-snapshot
The application of stochastic machine learning methods in the prediction of skin penetration
inferred← citeshttps://doi.org/10.1016/s1574-1400(06)02009-3openalex-snapshot
Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00458openalex-snapshot
Toward Guided Mutagenesis: Gaussian Process Regression Predicts MHC Class II Antigen Mutant Binding
inferred← citeshttps://doi.org/10.1021/ci0504014openalex-snapshot
logD7.4 Modeling Using Bayesian Regularized Neural Networks. Assessment and Correction of the Errors of Prediction
inferred← citeshttps://doi.org/10.1021/ci200409xopenalex-snapshot
Machine Learning Methods for Property Prediction in Chemoinformatics:Quo Vadis?
inferred← citeshttps://doi.org/10.1021/ci600205gopenalex-snapshot
Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach
inferred← citeshttps://doi.org/10.1021/ci7000633openalex-snapshot
Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties
inferred← citeshttps://doi.org/10.1021/mp0700413openalex-snapshot
Machine Learning Models for Lipophilicity and Their Domain of Applicability
inferred← citeshttps://doi.org/10.1039/c5ra10729fopenalex-snapshot
Multivariate statistical analysis methods in QSAR
inferred← citeshttps://doi.org/10.1109/cibcb.2009.4925736openalex-snapshot
Application of machine learning approaches on quantitative structure activity relationships
inferred← citeshttps://doi.org/10.1109/icdm.2008.97openalex-snapshot
Prediction of Skin Penetration Using Machine Learning Methods
inferred← citeshttps://doi.org/10.17638/03000035openalex-snapshot
Moving Towards Predictive Toxicology - A Systems Biology Approach
inferred← citeshttps://doi.org/10.2174/1570180820666230427151812openalex-snapshot
Insight into Quantum Computing and Deep Learning Approach for Drug Design
inferred← citeshttps://doi.org/10.3390/ijms12021259openalex-snapshot
A Classification Study of Respiratory Syncytial Virus (RSV) Inhibitors by Variable Selection with Random Forest
inferred← citeshttps://doi.org/10.5555/1046920.1194899openalex-snapshot
Managing Diversity in Regression Ensembles
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