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A new procedure for improving the predictiveness of CoMFA models and its application to a set of dihydrofolate reductase inhibitors

https://doi.org/10.1007/bf00123997
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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/qsar.19880070105openalex-snapshot
Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
inferredcites →https://doi.org/10.1002/qsar.19930120205openalex-snapshot
The Probability of Chance Correlation Using Partial Least Squares (PLS)
inferredcites →https://doi.org/10.1002/qsar.19940130102openalex-snapshot
Recommendations for CoMFA Studies and 3D QSAR Publications
inferredcites →https://doi.org/10.1007/978-94-017-1026-8_2openalex-snapshot
Multivariate Data Analysis in Chemistry
inferredcites →https://doi.org/10.1007/bf00125502openalex-snapshot
Use of the hydrogen bond potential function in a comparative molecular field analysis (CoMFA) on a set of benzodiazepines
inferredcites →https://doi.org/10.1007/bf00130399openalex-snapshot
QSAR of conformationally flexible molecules: Comparative Molecular Field Analysis of protein-tyrosine kinase inhibitors
inferredcites →https://doi.org/10.1007/bf01593790openalex-snapshot
Restart procedures for the conjugate gradient method
inferredcites →https://doi.org/10.1007/bf01680556openalex-snapshot
Strategic approaches to drug design. I. An integrated software framework for molecular modelling
inferredcites →https://doi.org/10.1016/s0079-6468(08)70281-9openalex-snapshot
6 Multivariate Data Analysis and Experimental Design in Biomedical Research
inferredcites →https://doi.org/10.1021/ja00066a004openalex-snapshot
3D-QSAR of angiotensin-converting enzyme and thermolysin inhibitors: a comparison of CoMFA models based on deduced and experimentally determined active site geometries
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/ja00457a004openalex-snapshot
Ground states of molecules. 38. The MNDO method. Approximations and parameters
inferredcites →https://doi.org/10.1021/ja00856a042openalex-snapshot
Correlation analysis. Its application to the structure-activity relation of triazines inhibiting dihydrofolate reductase
inferredcites →https://doi.org/10.1021/jm00032a010openalex-snapshot
Comparative Molecular Field Analysis of the Antitumor Activity of 9H-Thiioxanthen-9-one Derivatives against Pancreatic Ductal Carcinoma 03
inferredcites →https://doi.org/10.1021/jm00060a008openalex-snapshot
Mechanistic interpretation of the genotoxicity of nitrofurans (antibacterial agents) using quantitative structure-activity relationships and comparative molecular field analysis
inferredcites →https://doi.org/10.1021/jm00068a017openalex-snapshot
3D-QSAR(Three-Dimensional Quantitative Structure)-Activity Relationship Of Angiotensin-Converting Enzyme And Thermolysin Inhibitors. II. A Comparison Of CoMFA Models Incorporating Molecular Orbital Fields And Desolvation Free Energies Based On Active-Analog And Complementary-Receptor-Field…
inferredcites →https://doi.org/10.1021/jm00078a003openalex-snapshot
Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules
inferredcites →https://doi.org/10.1021/jm00078a017openalex-snapshot
Structure-activity relationships of the antimalarial agent artemisinin. 1. Synthesis and comparative molecular field analysis of C-9 analogs of artemisinin and 10-deoxoartemisinin
inferredcites →https://doi.org/10.1063/1.4822961openalex-snapshot
Savitzky-Golay Smoothing Filters
inferredcites →https://doi.org/10.1093/comjnl/7.4.308openalex-snapshot
A Simplex Method for Function Minimization
inferredcites →https://doi.org/10.1137/0905052openalex-snapshot
The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses

What points at this work

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

inferred← citeshttps://doi.org/10.1002/0470845015.cca030openalex-snapshot
Comparative Molecular Field Analysis (CoMFA)
inferred← citeshttps://doi.org/10.1002/9783527618279.ch44dopenalex-snapshot
Comparative Molecular Field Analysis (CoMFA)
inferred← citeshttps://doi.org/10.1002/qsar.200860128openalex-snapshot
The Effect of Molecular Fields, Lattice Spacing and Analysis Options on CoMFA Predictive Ability
inferred← citeshttps://doi.org/10.1007/0-306-46858-1_15openalex-snapshot
Building a Bridge between G-Protein-Coupled Receptor Modelling, Protein Crystallography and 3D QSAR Studies for Ligand Design
inferred← citeshttps://doi.org/10.1007/0-306-46858-1_2openalex-snapshot
Recent Progress in CoMFA Methodology and Related Techniques
inferred← citeshttps://doi.org/10.1007/0-306-46858-1_3openalex-snapshot
Improving the Predictive Quality of CoMFA Models
inferred← citeshttps://doi.org/10.1007/s10822-011-9519-9openalex-snapshot
Drug design for ever, from hype to hope
inferred← citeshttps://doi.org/10.1016/s0169-7439(97)00052-xopenalex-snapshot
Predicting maximum bioactivity by effective inversion of neural networks using genetic algorithms
inferred← citeshttps://doi.org/10.1016/s1359-6446(97)01079-9openalex-snapshot
QSAR and 3D QSAR in drug design Part 1: methodology
inferred← citeshttps://doi.org/10.1023/a:1007983320854openalex-snapshot
Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA
inferred← citeshttps://doi.org/10.1023/a:1007988708826openalex-snapshot
Evaluation of a novel infrared range vibration-based descriptor (EVA) for QSAR studies. 1. General application
inferred← citeshttps://doi.org/10.1023/a:1008002602653openalex-snapshot
Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures
inferred← citeshttps://doi.org/10.1023/a:1017015028419openalex-snapshot
List of CoMFA references, 1993-1996
inferred← citeshttps://doi.org/10.1023/a:1017057332537openalex-snapshot
Recent progress in CoMFA methodology and related techniques
inferred← citeshttps://doi.org/10.1023/a:1017058710672openalex-snapshot
Building a bridge between G-protein-coupled receptor modelling, protein crystallography and 3D QSAR studies for ligand design
inferred← citeshttps://doi.org/10.1023/a:1017061417516openalex-snapshot
Improving the predictive quality of CoMFA models
inferred← citeshttps://doi.org/10.1080/08893110701337727openalex-snapshot
Structural characteristics of antifolate dihydrofolate reductase enzyme interactions
inferred← citeshttps://doi.org/10.1213/ane.0b013e31818de158openalex-snapshot
A Comparison of the Molecular Bases for N-Methyl-d-Aspartate-Receptor Inhibition Versus Immobilizing Activities of Volatile Aromatic Anesthetics
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