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Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on the k -Nearest-Neighbor Principle
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Outgoing claims: the papers this work cites, builds on, or argues with.
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inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_37-3openalex-snapshot
Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
inferred← citeshttps://doi.org/10.1007/978-981-33-6191-1_9openalex-snapshot
Computer-Aided Drug Designing
inferred← citeshttps://doi.org/10.1007/978-981-99-1284-1_9openalex-snapshot
Designing Studies in Pharmaceutical and Medicinal Chemistry
inferred← citeshttps://doi.org/10.1007/s00038-016-0869-xopenalex-snapshot
Erratum to: Does being an Olympic city help improve recreational resources? Examining the quality of physical activity resources in a low-income neighborhood of Rio de Janeiro
inferred← citeshttps://doi.org/10.1007/s00044-009-9256-yopenalex-snapshot
Two- and three-dimensional QSAR studies on benzyl amide-ketoacid inhibitors of HIV integrase and their reduced analogues
inferred← citeshttps://doi.org/10.1007/s00044-010-9350-1openalex-snapshot
QSAR and docking-based computational chemistry approach to novel GABA-AT inhibitors: kNN-MFA-based 3DQSAR model for phenyl-substituted analogs of β-phenylethylidene hydrazine
inferred← citeshttps://doi.org/10.1007/s00044-010-9390-6openalex-snapshot
Novel GABA-AT inhibitors: QSAR and docking based virtual screening of phenyl substituted β-phenyl ethylidene hydrazine analogues
inferred← citeshttps://doi.org/10.1007/s00044-011-9815-xopenalex-snapshot
Insight into the structural requirement of aryltriazolinone derivatives as angiotensin II AT1 receptor: 2D and 3D-QSAR k-Nearest Neighbor Molecular Field Analysis approach
inferred← citeshttps://doi.org/10.1007/s00044-011-9889-5openalex-snapshot
Discovery of potent anticonvulsant ligands as dual NMDA and AMPA receptors antagonists by molecular modelling studies
inferred← citeshttps://doi.org/10.1007/s00044-011-9900-1openalex-snapshot
Molecular modeling studies of some substituted chalcone derivatives as cysteine protease inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-012-0033-yopenalex-snapshot
k nearest neighbor-molecular field analysis on human HCV NS5B polymerase inhibitors: 2,5-disubstituted imidazo[4,5-c]pyridines
inferred← citeshttps://doi.org/10.1007/s00044-012-0040-zopenalex-snapshot
A comprehensive structure–activity analysis 2,3,5-trisubstituted 4,5-dihydro-4-oxo-3H-imidazo [4,5-c] pyridine derivatives as angiotensin II receptor antagonists: using 2D- and 3D-QSAR approach
inferred← citeshttps://doi.org/10.1007/s00044-012-0110-2openalex-snapshot
Comprehensive two and three-dimensional QSAR studies of 3-substituted 6-butyl-1,2dihydropyridin-2-ones derivatives as angiotensin II receptor antagonists
inferred← citeshttps://doi.org/10.1007/s00044-012-0206-8openalex-snapshot
Comprehensive structure–activity relationship analysis of substituted 5-(biphenyl-4-ylmethyl) pyrazoles derivatives as AT1 selective angiotensin II receptor antagonists: 2D and kNNMFA QSAR approach
inferred← citeshttps://doi.org/10.1007/s00044-012-0226-4openalex-snapshot
Three-dimensional quantitative structure–activity relationship (3D-QSAR) analysis and molecular docking-based combined in silico rational approach to design potent and novel TRPV1 antagonists
inferred← citeshttps://doi.org/10.1007/s00044-012-0448-5openalex-snapshot
Modeling of CCR5 antagonists as anti HIV agents using combined genetic algorithm and adaptive neuro-fuzzy inference system (GA–ANFIS)
inferred← citeshttps://doi.org/10.1007/s00044-013-0499-2openalex-snapshot
Molecular modeling and pharmacophore approach for structural requirements of some 2-substituted-1-naphthols derivatives as potent 5-lipoxygenase inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-013-0554-zopenalex-snapshot
Comparative QSAR and pharmacophore modeling of substituted 2-[2′-(dimethylamino) ethyl]-1, 2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones derivatives as anti-tumor activity
inferred← citeshttps://doi.org/10.1007/s00044-013-0609-1openalex-snapshot
Pharmacophore and QSAR modeling of some structurally diverse azaaurones derivatives as anti-malarial activity
inferred← citeshttps://doi.org/10.1007/s00044-013-0638-9openalex-snapshot
QSAR and pharmacophore approach on substituted imidazole derivatives as angiotensin II receptor antagonists
inferred← citeshttps://doi.org/10.1007/s00044-013-0745-7openalex-snapshot
Molecular modeling studies of substituted 3,4-dihydroxychalcone derivatives as 5-lipoxygenase and cyclooxygenase inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-013-0808-9openalex-snapshot
Discovery of new lead pyrimidines derivatives as potential cannabinoid CB1 receptor antagonistic through molecular modeling and pharmacophore approach
inferred← citeshttps://doi.org/10.1007/s00044-013-0831-xopenalex-snapshot
Comparative QSAR and pharmacophore analysis for a series of 2,4-dihydro-3H-1,2,4-triazol-3-ones derivatives as angiotensin II AT1 receptor antagonists
inferred← citeshttps://doi.org/10.1007/s00044-013-0869-9openalex-snapshot
Prediction of glucagon receptor antagonist activities of some substituted imidazoles using combined radial basis function neural network and density functional theory
inferred← citeshttps://doi.org/10.1007/s00044-014-1183-xopenalex-snapshot
k-nearest neighbor molecular field analysis based 3D-QSAR and in silico ADME/T studies of cinnamoyl derivatives as HIV-1 integrase inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-014-1199-2openalex-snapshot
Molecular modeling studies on substituted aminopyrimidines derivatives as potential antimalarial compounds
inferred← citeshttps://doi.org/10.1007/s00044-015-1442-5openalex-snapshot
Molecular modeling studies of some thiazolidine-2,4-dione derivatives as 15-PGDH inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-016-1624-9openalex-snapshot
Molecular modeling studies of 3-acyl-2-phenylamino-1,4-dihydroquinolin-4-one derivatives as phosphatase SerB653 inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-019-02377-7openalex-snapshot
QSAR-guided pharmacophore modeling and subsequent virtual screening identify novel TYK2 inhibitor
inferred← citeshttps://doi.org/10.1007/s00894-006-0132-0openalex-snapshot
Novel semi-automated methodology for developing highly predictive QSAR models: application for development of QSAR models for insect repellent amides
inferred← citeshttps://doi.org/10.1007/s00894-008-0349-1openalex-snapshot
kNNsim: k-Nearest neighbors similarity with genetic algorithm features optimization enhances the prediction of activity classes for small molecules
inferred← citeshttps://doi.org/10.1007/s10822-005-4789-8openalex-snapshot
Quantitative Structure–activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the k Nearest Neighbor Method and QSAR-based Database Mining
inferred← citeshttps://doi.org/10.1007/s10822-005-9008-0openalex-snapshot
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures
inferred← citeshttps://doi.org/10.1007/s10822-007-9102-6openalex-snapshot
Antitumor Agents 252. Application of validated QSAR models to database mining: discovery of novel tylophorine derivatives as potential anticancer agents
inferred← citeshttps://doi.org/10.1007/s10822-007-9108-0openalex-snapshot
kScore: a novel machine learning approach that is not dependent on the data structure of the training set
inferred← citeshttps://doi.org/10.1007/s10822-008-9199-2openalex-snapshot
Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening
inferred← citeshttps://doi.org/10.1007/s10822-008-9225-4openalex-snapshot
Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction
inferred← citeshttps://doi.org/10.1007/s10822-011-9468-3openalex-snapshot
Mixed learning algorithms and features ensemble in hepatotoxicity prediction
inferred← citeshttps://doi.org/10.1007/s10822-012-9595-5openalex-snapshot
Integrated in silico approaches for the prediction of Ames test mutagenicity
inferred← citeshttps://doi.org/10.1007/s10822-015-9848-1openalex-snapshot
Combining docking-based comparative intermolecular contacts analysis and k-nearest neighbor correlation for the discovery of new check point kinase 1 inhibitors
inferred← citeshttps://doi.org/10.1007/s10822-015-9887-7openalex-snapshot
Identification of novel inhibitors for Pim-1 kinase using pharmacophore modeling based on a novel method for selecting pharmacophore generation subsets
inferred← citeshttps://doi.org/10.1007/s10910-012-0119-2openalex-snapshot
Molecular alignment as a penalized permutation Procrustes problem
inferred← citeshttps://doi.org/10.1007/s11030-006-8697-1openalex-snapshot
Molecular similarity and diversity in chemoinformatics: From theory to applications
inferred← citeshttps://doi.org/10.1007/s11030-009-9212-2openalex-snapshot
The importance of molecular structures, endpoints’ values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders
inferred← citeshttps://doi.org/10.1007/s11030-013-9441-2openalex-snapshot
Toward a general predictive QSAR model for gamma-secretase inhibitors
inferred← citeshttps://doi.org/10.1007/s11095-008-9609-0openalex-snapshot
QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds
inferred← citeshttps://doi.org/10.1007/s11095-013-1023-6openalex-snapshot
The Use of Pseudo-Equilibrium Constant Affords Improved QSAR Models of Human Plasma Protein Binding
inferred← citeshttps://doi.org/10.1007/s11095-013-1222-1openalex-snapshot
Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
inferred← citeshttps://doi.org/10.1007/s11095-015-1687-1openalex-snapshot
Developing Enhanced Blood–Brain Barrier Permeability Models: Integrating External Bio-Assay Data in QSAR Modeling
inferred← citeshttps://doi.org/10.1007/s12039-013-0410-1openalex-snapshot
Diverse models for the prediction of CDK4 inhibitory activity of substituted 4-aminomethylene isoquinoline-1, 3-diones
inferred← citeshttps://doi.org/10.1007/s12539-013-0038-3openalex-snapshot
Comparative pharmacophore modeling and QSAR studies for structural requirements of some substituted 2-aminopyridines derivatives as inhibitors nitric oxide synthases
inferred← citeshttps://doi.org/10.1007/s12539-013-0051-6openalex-snapshot
Prospective QSAR-based prediction models with pharmacophore studies of oxadiazole-substituted α-isopropoxy phenylpropanoic acids on with dual activators of PPARα and PPARγ
inferred← citeshttps://doi.org/10.1007/s12539-013-0063-2openalex-snapshot
Structural requirements of some 2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide derivatives as poly (ADP-ribose) polymerase (PARP) for the treatment of cancer: QSAR approach
inferred← citeshttps://doi.org/10.1007/s12539-013-0067-yopenalex-snapshot
Identification of 3-nitro-2, 4, 6-trihydroxybenzamide derivatives as photosynthetic electron transport inhibitors by QSAR and pharmacophore studies
inferred← citeshttps://doi.org/10.1007/s12539-015-0004-3openalex-snapshot
Comparative Pharmacophore Modeling and QSAR Studies for Structural Requirements of some Substituted 2-Aminopyridine Derivatives as Inhibitors of Nitric Oxide Synthases
inferred← citeshttps://doi.org/10.1007/s12539-015-0005-2openalex-snapshot
QSAR studies on 3-(4-biphenylmethyl) 4, 5-dihydro-4-oxo-3H-imidazo [4, 5-c] Pyridine derivatives as angiotensin II (AT1) receptor antagonist
inferred← citeshttps://doi.org/10.1007/s12539-015-0009-yopenalex-snapshot
Prospective QSAR-Based Prediction Models with Pharmacophore Studies of Oxadiazole-Substituted $$\alpha$$ α -Isopropoxy Phenylpropanoic Acids with Dual Activators of PPAR $$\alpha$$ α and PPAR $$\gamma$$ γ
inferred← citeshttps://doi.org/10.1007/s12539-015-0011-4openalex-snapshot
A Structure–Activity Relationship Study of Naphthoquinone Derivatives as Antitubercular Agents Using Molecular Modeling Techniques
inferred← citeshttps://doi.org/10.1007/s12539-015-0015-0openalex-snapshot
Structural Requirements of Some 2-(1-Propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide Derivatives as Poly (ADP-Ribose) Polymerase (PARP) for the Treatment of Cancer: QSAR Approach
inferred← citeshttps://doi.org/10.1007/s12539-015-0019-9openalex-snapshot
Identification of 3-Nitro-2,4,6-trihydroxybenzamide Derivatives as Photosynthetic Electron Transport Inhibitors by QSAR and Pharmacophore Studies
inferred← citeshttps://doi.org/10.1007/s13273-016-0001-6openalex-snapshot
Construction of a predictive model for evaluating multiple organ toxicity
inferred← citeshttps://doi.org/10.1007/s13721-016-0116-7openalex-snapshot
Computational design of novel renin inhibitors of indole-3-carboxamide derivatives through QSAR studies
inferred← citeshttps://doi.org/10.1007/s13721-016-0139-0openalex-snapshot
Rationalization of physicochemical characters and structural determinants of benzimidazole analogues as casein kinase 2 inhibitors: computational approach
inferred← citeshttps://doi.org/10.1007/s43503-025-00074-6openalex-snapshot
Evaluating the use of synthetic data for machine learning prediction of self-healing capacity of concrete
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00248-0openalex-snapshot
Predictive Quantitative Structure–Activity Relationship Modeling
inferred← citeshttps://doi.org/10.1016/b978-0-08-100098-4.00007-7openalex-snapshot
In Silico ADMET Profiling
inferred← citeshttps://doi.org/10.1016/b978-0-12-374194-3.00023-8openalex-snapshot
Quantitative Approaches to Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.14703-1openalex-snapshot
Chemometrics for QSAR Modeling
inferred← citeshttps://doi.org/10.1016/b978-0-12-801238-3.05329-0openalex-snapshot
Structure-Activity Relationships: Theory, Uses and Limitations☆
inferred← citeshttps://doi.org/10.1016/b978-0-12-801505-6.00006-5openalex-snapshot
Selected Statistical Methods in QSAR
inferred← citeshttps://doi.org/10.1016/b978-0-12-820045-2.00008-8openalex-snapshot
Evaluating safety and toxicity
inferred← citeshttps://doi.org/10.1016/b978-0-12-820546-4.00002-7openalex-snapshot
QSAR: Descriptor calculations, model generation, validation and their application
inferred← citeshttps://doi.org/10.1016/b978-0-443-18638-7.00029-3openalex-snapshot
Quantitative structure-activity relationships (QSARs) in medicinal chemistry
inferred← citeshttps://doi.org/10.1016/b978-0-444-64241-7.50132-4openalex-snapshot
Sustainability assessment using local lazy learning: The case of post-combustion CO 2 capture solvents
inferred← citeshttps://doi.org/10.1016/b978-008055232-3.60006-6openalex-snapshot
Structure-Activity Relationships
inferred← citeshttps://doi.org/10.1016/b978-012744481-9/50026-xopenalex-snapshot
QUANTITATIVE APPROACHES TO STRUCTURE–ACTIVITY RELATIONSHIPS
inferred← citeshttps://doi.org/10.1016/b978-044452701-1.00007-7openalex-snapshot
Chemometrics in QSAR
inferred← citeshttps://doi.org/10.1016/b978-1-68108-053-6.50008-9openalex-snapshot
Anti-Tubercular Drug Designing Using Structural Descriptors
inferred← citeshttps://doi.org/10.1016/b978-155860797-2/50017-2openalex-snapshot
Feature Selection Methods Based on Genetic Algorithms for in Silico Drug Design
inferred← citeshttps://doi.org/10.1016/j.addr.2023.114974openalex-snapshot
Towards artificial intelligence-enabled extracellular vesicle precision drug delivery
inferred← citeshttps://doi.org/10.1016/j.anucene.2024.110905openalex-snapshot
Applicability domain and gaps of SNF decay heat validation data – A similarity-based approach
inferred← citeshttps://doi.org/10.1016/j.arabjc.2010.12.005openalex-snapshot
QSAR studies of some side chain modified 7-chloro-4-aminoquinolines as antimalarial agents
inferred← citeshttps://doi.org/10.1016/j.arabjc.2011.05.015openalex-snapshot
WITHDRAWN: QSAR studies on substituted benzimidazoles as angiotensin II receptor antagonists: kNN-MFA approach
inferred← citeshttps://doi.org/10.1016/j.arabjc.2011.07.008openalex-snapshot
WITHDRAWN: QSAR analysis and 3D QSAR kNN-MFA approach on a series of substituted quinolines derivatives as angiotensin II receptor antagonists
inferred← citeshttps://doi.org/10.1016/j.arabjc.2012.04.020openalex-snapshot
WITHDRAWN: A comprehensive structure–activity analysis of 5-Carboxyl Imidazolyl biphenyl Sulfonylureas derivatives angiotensin AT1 receptor antagonists: 2D- and 3D-QSAR approach
inferred← citeshttps://doi.org/10.1016/j.arabjc.2014.11.063openalex-snapshot
Computer-aided molecular design of (E)-N-Aryl-2-ethene-sulfonamide analogues as microtubule targeted agents in prostate cancer
inferred← citeshttps://doi.org/10.1016/j.bmc.2009.08.022openalex-snapshot
Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain
inferred← citeshttps://doi.org/10.1016/j.bmc.2009.12.066openalex-snapshot
CoMFA analysis of tgDHFR and rlDHFR based on antifolates with 6–5 fused ring system using the all-orientation search (AOS) routine and a modified cross-validated r2-guided region selection (q2-GRS) routine and its initial application
inferred← citeshttps://doi.org/10.1016/j.bmcl.2012.12.067openalex-snapshot
A novel two-step QSAR modeling work flow to predict selectivity and activity of HDAC inhibitors
inferred← citeshttps://doi.org/10.1016/j.cbi.2016.03.006openalex-snapshot
Discovery of new selective cytotoxic agents against Bcl-2 expressing cancer cells using ligand-based modeling
inferred← citeshttps://doi.org/10.1016/j.cbi.2016.05.023openalex-snapshot
Discovery of potent adenosine A2a antagonists as potential anti-Parkinson disease agents. Non-linear QSAR analyses integrated with pharmacophore modeling
inferred← citeshttps://doi.org/10.1016/j.cbpa.2004.04.005openalex-snapshot
Applying data mining techniques to library design, lead generation and lead optimization
inferred← citeshttps://doi.org/10.1016/j.chemolab.2011.08.007openalex-snapshot
Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection
inferred← citeshttps://doi.org/10.1016/j.chemolab.2012.01.008openalex-snapshot
Kernel k-nearest neighbor algorithm as a flexible SAR modeling tool
inferred← citeshttps://doi.org/10.1016/j.chemolab.2012.11.008openalex-snapshot
A novel tree kernel support vector machine classifier for modeling the relationship between bioactivity and molecular descriptors
inferred← citeshttps://doi.org/10.1016/j.chemolab.2013.04.001openalex-snapshot
A structure–activity relationship survey of histone deacetylase (HDAC) inhibitors
inferred← citeshttps://doi.org/10.1016/j.chemolab.2015.06.016openalex-snapshot
Chemometrics tools in QSAR/QSPR studies: A historical perspective
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2021.130681openalex-snapshot
Generating accurate in silico predictions of acute aquatic toxicity for a range of organic chemicals: Towards similarity-based machine learning methods
inferred← citeshttps://doi.org/10.1016/j.cjche.2018.08.015openalex-snapshot
A review of extractive distillation from an azeotropic phenomenon for dynamic control
inferred← citeshttps://doi.org/10.1016/j.cmpb.2016.04.001openalex-snapshot
A comprehensive identification-evidence based alternative for HIV/AIDS treatment with HAART in the healthcare industries
inferred← citeshttps://doi.org/10.1016/j.cmpb.2016.04.025openalex-snapshot
A review of the applications of data mining and machine learning for the prediction of biomedical properties of nanoparticles
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2017.10.003openalex-snapshot
Ligand-based computational modelling of platelet-derived growth factor beta receptor leading to new angiogenesis inhibitory leads
inferred← citeshttps://doi.org/10.1016/j.drudis.2010.03.003openalex-snapshot
Use of Benford's law in drug discovery data
inferred← citeshttps://doi.org/10.1016/j.dyepig.2014.10.026openalex-snapshot
A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2012.01.007openalex-snapshot
Interpretation of honeybees contact toxicity associated to acetylcholinesterase inhibitors
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2020.110216openalex-snapshot
Analysis of model PM2.5-induced inflammation and cytotoxicity by the combination of a virtual carbon nanoparticle library and computational modeling
inferred← citeshttps://doi.org/10.1016/j.ejmcr.2026.100338openalex-snapshot
Recent advances in computational modelling, artificial intelligence, and in silico strategies for predicting adverse effects in skincare safety: A critical review
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.01.034openalex-snapshot
Ligand-based modeling of diverse aryalkylamines yields new potent P-glycoprotein inhibitors
inferred← citeshttps://doi.org/10.1016/j.ejps.2005.07.008openalex-snapshot
Quantitative structure–activity relationships of methotrexate and methotrexate analogues transported by the rat multispecific resistance-associated protein 2 (rMrp2)
inferred← citeshttps://doi.org/10.1016/j.ejps.2012.05.009openalex-snapshot
QSAR, docking and in vivo studies for immunomodulatory activity of isolated triterpenoids from Eucalyptus tereticornis and Gentiana kurroo
inferred← citeshttps://doi.org/10.1016/j.eswa.2011.11.106openalex-snapshot
Application of an expert system based on Genetic Algorithm–Adaptive Neuro-Fuzzy Inference System (GA–ANFIS) in QSAR of cathepsin K inhibitors
inferred← citeshttps://doi.org/10.1016/j.fct.2018.04.024openalex-snapshot
In silico genotoxicity and carcinogenicity prediction for food-relevant secondary plant metabolites
inferred← citeshttps://doi.org/10.1016/j.isci.2026.116937openalex-snapshot
Semantic knowledge improves molecular machine learning for chemical toxicity prediction
inferred← citeshttps://doi.org/10.1016/j.jconrel.2011.11.029openalex-snapshot
Quantitative structure - property relationship modeling of remote liposome loading of drugs
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2022.129193openalex-snapshot
Mechanism-driven modeling of chemical hepatotoxicity using structural alerts and an in vitro screening assay
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2024.134297openalex-snapshot
Hybrid non-animal modeling: A mechanistic approach to predict chemical hepatotoxicity
inferred← citeshttps://doi.org/10.1016/j.jmgm.2004.05.001openalex-snapshot
Modeling of p38 mitogen-activated protein kinase inhibitors using the Catalyst™ HypoGen and k-nearest neighbor QSAR methods
inferred← citeshttps://doi.org/10.1016/j.jmgm.2008.09.005openalex-snapshot
Highly correlating distance/connectivity-based topological indices
inferred← citeshttps://doi.org/10.1016/j.jmgm.2010.01.007openalex-snapshot
A comprehensive structure–activity analysis of protein kinase B-alpha (Akt1) inhibitors
inferred← citeshttps://doi.org/10.1016/j.jmgm.2019.01.011openalex-snapshot
Discovery of novel Flt3 inhibitory chemotypes through extensive ligand-based and new structure-based pharmacophore modelling methods
inferred← citeshttps://doi.org/10.1016/j.jmgm.2019.05.015openalex-snapshot
Discovery of new JNK3 inhibitory chemotypes via QSAR-Guided selection of docking-based pharmacophores and comparison with other structure-based pharmacophore modeling methods
inferred← citeshttps://doi.org/10.1016/j.jmgm.2020.107615openalex-snapshot
Pharmacophore modeling of JAK1: A target infested with activity-cliffs
inferred← citeshttps://doi.org/10.1016/j.jscs.2011.03.005openalex-snapshot
3D QSAR kNN-MFA studies on 6-substituted benzimidazoles derivatives as Nonpeptide Angiotensin II Receptor Antagonists: A rational approach to antihypertensive agents
inferred← citeshttps://doi.org/10.1016/j.jscs.2011.03.012openalex-snapshot
QSAR studies of some substituted imidazolinones angiotensin II receptor antagonists using Partial Least Squares Regression (PLSR) method based feature selection
inferred← citeshttps://doi.org/10.1016/j.jscs.2011.04.017openalex-snapshot
A comparative QSAR analysis and molecular docking studies of quinazoline derivatives as tyrosine kinase (EGFR) inhibitors: A rational approach to anticancer drug design
inferred← citeshttps://doi.org/10.1016/j.jscs.2011.07.013openalex-snapshot
WITHDRAWN: QSAR analysis of imidazo[4,5-b]pyridine substituted α-Phenoxyphenylacetic acids as angiotensin II AT1 receptor antagonists
inferred← citeshttps://doi.org/10.1016/j.jscs.2011.08.005openalex-snapshot
WITHDRAWN: QSAR studies of a series of angiotensin II receptor substituted benzimidazole bearing acidic heterocycles derivatives
inferred← citeshttps://doi.org/10.1016/j.jscs.2011.10.008openalex-snapshot
WITHDRAWN: Two dimensional and k-nearest neighbor molecular field analysis approach on substituted Triazolone derivatives: An insight into the structural requirement for the angiotensin II receptor antagonist
inferred← citeshttps://doi.org/10.1016/j.jscs.2011.12.023openalex-snapshot
WITHDRAWN: Quantitative structure–activity analysis studies on triazolinone aryl and nonaryl substituents as angiotensin II receptor antagonists
inferred← citeshttps://doi.org/10.1016/j.jscs.2012.04.012openalex-snapshot
WITHDRAWN: Comprehensive structure–activity relationship analysis of isoxazolinyl and isoxazolidinyl substituted quinazolinone derivatives as angiotensin II receptor antagonists
inferred← citeshttps://doi.org/10.1016/j.jscs.2012.07.004openalex-snapshot
WITHDRAWN: Structural insight for (6-oxo-3-pyridazinyl)-benzimidazoles derivatives as angiotensin II receptor antagonists: QSAR, pharmacophore identification and kNNMFA approach
inferred← citeshttps://doi.org/10.1016/j.jscs.2012.10.001openalex-snapshot
WITHDRAWN: QSAR analyses and pharmacophore studies of tetrazole and sulfonamide analogs of imidazo[4,5-b]pyridine using simulated annealing based feature selection
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