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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
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Receptor‐guided 3D ‐Quantitative Structure–Activity Relationship and Docking Studies of 6‐Substituted 2‐Arylaminopurines as CDK2 Kinase Inhibitors
inferred← citeshttps://doi.org/10.1002/bkcs.11547openalex-snapshot
Receptor‐guided 3D‐QSAR Study of Anilinoquinazolines as RET Receptor Tyrosine Kinase Antagonists
inferred← citeshttps://doi.org/10.1002/bkcs.11824openalex-snapshot
A Combined Molecular Docking and 3D‐QSAR Studies on Tetrahydropteridin Derivatives as PLK2 Antagonists
inferred← citeshttps://doi.org/10.1002/bkcs.12843openalex-snapshot
Computational basis of TEAD ‐3 protein noncovalent inhibition: 3D‐QSAR modeling and molecular dynamics simulation
inferred← citeshttps://doi.org/10.1002/cbdv.200590092openalex-snapshot
Synthesis and Biological Evaluation of Novel Compounds Related to 1-Arylnaphthalene Lignans and Isoquinolines
inferred← citeshttps://doi.org/10.1002/cbdv.200590117openalex-snapshot
Application of 3D-QSAR in the Rational Design of Receptor Ligands and Enzyme Inhibitors
inferred← citeshttps://doi.org/10.1002/cbdv.202201086openalex-snapshot
QSAR Modelling of Biological Activity in Cannabinoids with Quantum Similarity Combinations of Charge Fitting Schemes and 3D‐QSAR
inferred← citeshttps://doi.org/10.1002/cbdv.202500587openalex-snapshot
Design of New Anti‐Influenza Structures Based on 3D‐QSAR, Molecular Docking and Molecular Dynamics Studies
inferred← citeshttps://doi.org/10.1002/cbdv.71481openalex-snapshot
In Silico Rational Design of Novel 1,3,4‐Oxadiazole Thioether Derivatives for the Discovery of Xanthomonas oryzae Inhibitors
inferred← citeshttps://doi.org/10.1002/cem.1032openalex-snapshot
Optimization of the separation of coumarins in mixed micellar liquid chromatography using Derringer's desirability function
inferred← citeshttps://doi.org/10.1002/cem.1056openalex-snapshot
An alignment‐free methodology for modelling field‐based 3D‐structure activity relationships using inductive logic programming
inferred← citeshttps://doi.org/10.1002/cem.1094openalex-snapshot
Modeling based on subspace orthogonal projections for QSAR and QSPR research
inferred← citeshttps://doi.org/10.1002/cem.1180040504openalex-snapshot
U. K. usage of chemometrics and artificial intelligence in QSAR analysis
inferred← citeshttps://doi.org/10.1002/cem.1180060602openalex-snapshot
A review of three‐dimensional chemical structure retrieval systems
inferred← citeshttps://doi.org/10.1002/cem.1180070603openalex-snapshot
Statistical thinking and technique for QSAR and related studies. Part I: General theory
inferred← citeshttps://doi.org/10.1002/cem.1180080204openalex-snapshot
A PLS kernel algorithm for data sets with many variables and fewer objects. Part 1: Theory and algorithm
inferred← citeshttps://doi.org/10.1002/cem.1180080505openalex-snapshot
Interactive variable selection (IVS) for PLS. Part 1: Theory and algorithms
inferred← citeshttps://doi.org/10.1002/cem.1180090502openalex-snapshot
Interactive variable selection (IVS) for PLS. Part II: Chemical applications
inferred← citeshttps://doi.org/10.1002/cem.1180090604openalex-snapshot
A PLS kernel algorithm for data sets with many variables and few objects. Part II: Cross‐validation, missing data and examples
inferred← citeshttps://doi.org/10.1002/cem.1180090607openalex-snapshot
Iteratively reweighted partial least squares: A performance analysis by monte carlo simulation
inferred← citeshttps://doi.org/10.1002/cem.1261openalex-snapshot
Quantitative structure–activity relationship (QSAR) of artemisinin: the development of predictive in vivo antimalarial activity models
inferred← citeshttps://doi.org/10.1002/cem.2415openalex-snapshot
Novel algorithm to select basis functions in spline regression: applications in quantitative structure–activity relationship studies
inferred← citeshttps://doi.org/10.1002/cem.2502openalex-snapshot
Grid potential analysis, virtual screening studies and ADME/T profiling on N‐arylsulfonylindoles as anti‐HIV‐1 agents
inferred← citeshttps://doi.org/10.1002/cem.2515openalex-snapshot
Docking and pharmacophore‐based alignment comparative molecular field analysis three‐dimensional quantitative structure–activity relationship analysis of dihydrofolate reductase inhibitors by linear and nonlinear calibration methods
inferred← citeshttps://doi.org/10.1002/cem.2524openalex-snapshot
Genetic algorithm for CoMFA setting optimization: 3D‐QSAR study on α‐aminosuberic acid derivatives as anti‐cancer compounds
inferred← citeshttps://doi.org/10.1002/cem.2817openalex-snapshot
An alignment‐independent 3D‐QSAR study on series of hydroxamic acid‐based tumor necrosis factor‐α converting enzyme inhibitors
inferred← citeshttps://doi.org/10.1002/cem.3131openalex-snapshot
Four‐dimensional quantitative structure‐activity analysis of 1,4‐naphthoquinone derivatives tested against HL‐60 human promyelocytic leukemia cells
inferred← citeshttps://doi.org/10.1002/cem.729openalex-snapshot
A systematic evaluation of the benefits and hazards of variable selection in latent variable regression. Part II. Practical applications
inferred← citeshttps://doi.org/10.1002/cem.730openalex-snapshot
A systematic evaluation of the benefits and hazards of variable selection in latent variable regression. Part I. Search algorithm, theory and simulations
inferred← citeshttps://doi.org/10.1002/cem.856openalex-snapshot
Peptide studies by means of principal properties of amino acids derived from MIF descriptors
inferred← citeshttps://doi.org/10.1002/chin.198851058openalex-snapshot
ChemInform Abstract: Comparative Molecular Field Analysis (CoMFA). Part 1. Effect of Shape on Binding of Steroids to Carrier Proteins.
inferred← citeshttps://doi.org/10.1002/chin.199950259openalex-snapshot
ChemInform Abstract: Molecular Topology of Dendrimers
inferred← citeshttps://doi.org/10.1002/chin.200127266openalex-snapshot
ChemInform Abstract: TI‐MTD Model: Applications in Molecular Design
inferred← citeshttps://doi.org/10.1002/chin.200322295openalex-snapshot
Halogens in Molecular Structure—Property Relationships
inferred← citeshttps://doi.org/10.1002/chin.200706210openalex-snapshot
Basic Overview of Chemoinformatics.
inferred← citeshttps://doi.org/10.1002/chir.10197openalex-snapshot
Modeling the chromatographic enantioseparation of aryl‐ and hetarylcarbinols on ULMO, a brush‐type chiral stationary phase, by 3D‐QSAR techniques
inferred← citeshttps://doi.org/10.1002/chir.530050709openalex-snapshot
Enantiomeric resolution of sulfoxides on a DACH‐DNB chiral stationary phase: A quantitative structure–enantioselective retention relationship (QSERR) study
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