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Three-Dimensional Quantitative Structure−Activity Relationships from Molecular Similarity Matrices and Genetic Neural Networks. 1. Method and Validations
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Outgoing claims: the papers this work cites, builds on, or argues with.
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inferred← citeshttps://doi.org/10.1023/b:jcam.0000030036.67468.7copenalex-snapshot
Quantitative structure–activity relationships from optimised ab initio bond lengths: steroid binding affinity and antibacterial activity of nitrofuran derivatives
inferred← citeshttps://doi.org/10.1023/b:modi.0000006753.11500.37openalex-snapshot
Artificial neural networks: Non-linear QSAR studies of HEPT derivatives as HIV-1 reverse transcriptase inhibitors
inferred← citeshttps://doi.org/10.1039/c6ra15056jopenalex-snapshot
A GMDH-type neural network with multi-filter feature selection for the prediction of transition temperatures of bent-core liquid crystals
inferred← citeshttps://doi.org/10.1057/palgrave.jors.2602132openalex-snapshot
AI and OR in management of operations: history and trends
inferred← citeshttps://doi.org/10.1080/00032719908542831openalex-snapshot
Genetic Algorithms in Analytical Chemistry
inferred← citeshttps://doi.org/10.1080/02678292.2016.1155769openalex-snapshot
Prediction of clearing temperatures of bent-core liquid crystals using decision trees and multivariate adaptive regression splines
inferred← citeshttps://doi.org/10.1080/08927022.2010.490399openalex-snapshot
QSAR-based prediction of anti-HCV activity of thiourea derivatives
inferred← citeshttps://doi.org/10.1080/10629360903570545openalex-snapshot
Combinatorial protocol in multiple linear regression/partial least-squares directed rationale for the caspase-3 inhibition activity of isoquinoline-1,3,4-trione derivatives
inferred← citeshttps://doi.org/10.1080/10629361003773997openalex-snapshot
A quantitative structure-activity relationship study on serotonin 5-HT6receptor ligands: indolyl and piperidinyl sulphonamides
inferred← citeshttps://doi.org/10.1080/10629369908039164openalex-snapshot
EEVA (Electronic Eigenvalue): A New QSAR/QSPR Descriptor for Electronic Substituent Effects Based on Molecular Orbital Energies
inferred← citeshttps://doi.org/10.1080/1062936x.2011.569895openalex-snapshot
Modelling of serotonin reuptake inhibitory and histamine H 3 antagonistic activity of piperazine and diazepane amides: QSAR rationales for co-optimization of the activity profiles
inferred← citeshttps://doi.org/10.1080/1062936x.2011.623320openalex-snapshot
QSAR models of cytochrome P450 enzyme 1A2 inhibitors using CoMFA, CoMSIA and HQSAR
inferred← citeshttps://doi.org/10.1080/1062936x.2015.1018941openalex-snapshot
The application of machine learning to the modelling of percutaneous absorption: An overview and guide
inferred← citeshttps://doi.org/10.1080/10715760000300531openalex-snapshot
4-Mercaptoimidazoles derived from the naturally occurring antioxidant ovothiols 2. Computational and experimental approach of the radical scavenging mechanism
inferred← citeshttps://doi.org/10.1080/14756360801915336openalex-snapshot
Topological descriptors in modeling malonyl coenzyme A decarboxylase inhibitory activity: N-Alkyl-N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropylphenyl)amide derivatives
inferred← citeshttps://doi.org/10.1080/14756360801915351openalex-snapshot
Modeling of vascular endothelial growth factor receptor 2 (VEGFR2) kinase inhibitory activity of 2-anilino-5-aryloxazoles using chemometric tools
inferred← citeshttps://doi.org/10.1080/14756360801915377openalex-snapshot
Topological descriptors in modelling antimalarial activity: N1-(7-chloro-4-quinolyl)-1,4-bis(3-aminopropyl)piperazine as prototype
inferred← citeshttps://doi.org/10.1080/14756360802318878openalex-snapshot
Modeling of cyclooxygenase-2 and 5-lipooxygenase inhibitory activity of apoptosis-inducing agents potentially useful in prostate cancer chemotherapy: Derivatives of diarylpyrazole
inferred← citeshttps://doi.org/10.1080/14756360802608054openalex-snapshot
Modeling of the growth hormone secretagogue receptor antagonistic activity using chemometric tools
inferred← citeshttps://doi.org/10.1088/0953-8984/21/33/333101openalex-snapshot
Transition path sampling and forward flux sampling. Applications to biological systems
inferred← citeshttps://doi.org/10.1093/bib/bbaf415openalex-snapshot
Boosting data interpretation with GIBOOST to enhance visualization of complex high-dimensional data
inferred← citeshttps://doi.org/10.1109/cec.2002.1006233openalex-snapshot
Evolved neural networks for quantitative structure-activity relationships of anti-HIV compounds
inferred← citeshttps://doi.org/10.1111/cbdd.12743openalex-snapshot
Computational Study and Modified Design of Selective Dopamine D 3Receptor Agonists
inferred← citeshttps://doi.org/10.1111/j.1600-0587.2008.05512.xopenalex-snapshot
Satellite image texture and a vegetation index predict avian biodiversity in the Chihuahuan Desert of New Mexico
inferred← citeshttps://doi.org/10.1124/dmd.104.000364openalex-snapshot
QUANTITATIVE STRUCTURE-METABOLISM RELATIONSHIP MODELING OF METABOLIC N-DEALKYLATION REACTION RATES
inferred← citeshttps://doi.org/10.1155/2013/154629openalex-snapshot
Topological Features in Profiling the Antimalarial Activity Landscape of Anilinoquinolines: A Multipronged QSAR Study
inferred← citeshttps://doi.org/10.1186/s13321-016-0122-xopenalex-snapshot
Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets
inferred← citeshttps://doi.org/10.1186/s13321-017-0211-5openalex-snapshot
QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations
inferred← citeshttps://doi.org/10.1371/journal.pone.0065590openalex-snapshot
Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships
inferred← citeshttps://doi.org/10.1385/mb:27:2:139openalex-snapshot
Neural Networks as Robust Tools in Drug Lead Discovery and Development
inferred← citeshttps://doi.org/10.1515/bams-2016-0008openalex-snapshot
A stepwise protocol for neural network modeling of persistent postoperative facial pain in chronic rhinosinusitis
inferred← citeshttps://doi.org/10.18524/2304-0947.2016.1(57).67514openalex-snapshot
QSAR ANALYSIS OF THE ECDYSTEROIDS’ AFFINITY BASED ON 2.5D-SIMPLEX REPRESENTATION OF THE MOLECULAR STRUCTURE
inferred← citeshttps://doi.org/10.2174/0113816128330939250313060926openalex-snapshot
CP-MLR/PLS-guided Quantitative Structure-activity Relationship Study on the Derivatives of Benzimidazolone as H3-Antihistaminic Agents
inferred← citeshttps://doi.org/10.2174/0113816128331664250206113701openalex-snapshot
QSAR and Molecular Docking Studies on Uracil-based Benzoic Acid and Ester Derivatives to Explore Novel Dipeptidyl Peptidase-4 Inhibitors
inferred← citeshttps://doi.org/10.2174/1568026619666190510093651openalex-snapshot
Higher-Order and Mixed Discrete Derivatives such as a Novel Graph- Theoretical Invariant for Generating New Molecular Descriptors
inferred← citeshttps://doi.org/10.24214/jcbps.a.14.2.10108openalex-snapshot
A Quantitative Structure-Activity Relationship Study of Insecticidal Activity of Propargyloxy-Naphthalene-Sulfonamide Derivatives
inferred← citeshttps://doi.org/10.2478/s11532-009-0073-4openalex-snapshot
CP-MLR directed QSAR study of carbonic anhydrase inhibitors: sulfonamide and sulfamate inhibitors
inferred← citeshttps://doi.org/10.30574/gscbps.2020.11.3.0169openalex-snapshot
QSAR rationales for the dipeptidyl peptidase-4 (DPP-4) inhibitors: The imidazolopyrimidine amides
inferred← citeshttps://doi.org/10.30574/gscbps.2020.12.1.0231openalex-snapshot
CP-MLR derived QSAR rationales for the PPARy agonistic activity of the pyridyloxybenzene-acylsulfonamide derivatives
inferred← citeshttps://doi.org/10.30574/gscbps.2021.16.1.0199openalex-snapshot
Quantitative structure-activity relationship study on the MMP-13 inhibitory activity of fused pyrimidine derivatives possessing a 1,2,4-Triazol-3-yl group as a ZBG
inferred← citeshttps://doi.org/10.30574/wjbphs.2020.3.1.0044openalex-snapshot
QSAR rationales for the PPARα/γ agonistic activity of 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline derivatives
inferred← citeshttps://doi.org/10.3109/14756366.2010.519702openalex-snapshot
A QSAR study on 2-(4-methylpiperazin-1-yl)quinoxalines as human histamine H4receptor ligands
inferred← citeshttps://doi.org/10.3109/14756366.2010.548328openalex-snapshot
Consensus features of CP-MLR and GA in modeling HIV-1 RT inhibitory activity of 4-benzyl/benzoylpyridin-2-one analogues
inferred← citeshttps://doi.org/10.3109/14756366.2011.587414openalex-snapshot
QSAR of 2-(4-methylsulphonylphenyl)pyrimidine derivatives as cyclooxygenase-2 inhibitors: simple structural fragments as potential modulators of activity
inferred← citeshttps://doi.org/10.3390/ecsoc-9-01666openalex-snapshot
Bond, Bond-Type, and Total Linear Indices of the Non-Stochastic and Stochastic Edge Adjacency Matrix. 1. Theory and QSPR Studies
inferred← citeshttps://doi.org/10.3390/molecules17089971openalex-snapshot
BCL::EMAS — Enantioselective Molecular Asymmetry Descriptor for 3D-QSAR
inferred← citeshttps://doi.org/10.3390/molecules24091698openalex-snapshot
Analysis and Comparison of Vector Space and Metric Space Representations in QSAR Modeling
inferred← citeshttps://doi.org/10.4103/0250-474x.113539openalex-snapshot
Molecular Descriptors in Modelling the Tumour Necrosis Factor-α Converting Enzyme Inhibition Activity of Novel Tartrate-Based Analogues
inferred← citeshttps://doi.org/10.4172/2161-0444.1000134openalex-snapshot
Chemometric Descriptor Based QSAR Rationales for the MMP-13 Inhibition Activity of Non-Zinc-Chelating Compounds
inferred← citeshttps://doi.org/10.46624/bjmhr.2020.v7.i6.008openalex-snapshot
QSAR study on the Dipeptide-Derived Inhibitor of Dipeptidyl Peptidase IV: The (2S)-Cyanopyrrolidine analogues
inferred← citeshttps://doi.org/10.54905/disssi.v17i40.e34dd1959openalex-snapshot
Molecular descriptors in quantitative relationship with herbicidal activity of novel derivatives of 6-(5-arylsubstituted- 1-pyrazolyl)-2- picolinic acid
inferred← citeshttps://doi.org/10.5530/ptb.1.2.8openalex-snapshot
QSAR Study on Arylthioquinoline Derivatives as Anti-tubercular Agents
inferred← citeshttps://doi.org/10.9734/bjpr/2013/3903openalex-snapshot
QSAR Rationale of Matrix Metalloproteinase Inhibition Activity in a Class of Carboxylic Acid Based Compounds
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