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Modeling Robust QSAR. 1. Coding Molecules in 3D-QSAR from a Point to Surface Sectors and Molecular Volumes

https://doi.org/10.1021/ci0501488
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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/(sici)1098-2299(199802)43:2<105::aid-ddr3>3.0.co;2-oopenalex-snapshot
Hypolipidaemic activity of dimethoxy unconjugated propenyl side-chain analogs of ?-asarone in mice
inferredcites →https://doi.org/10.1002/9783527618279openalex-snapshot
Handbook of Chemoinformatics
inferredcites →https://doi.org/10.1002/series6138openalex-snapshot
Methods and Principles in Medicinal Chemistry
inferredcites →https://doi.org/10.1007/s10822-004-4068-0openalex-snapshot
3D-QSAR illusions
inferredcites →https://doi.org/10.1016/j.dyepig.2003.11.003openalex-snapshot
Mapping dye pharmacophores by the Comparative Molecular Surface Analysis (CoMSA): application to heterocyclic monoazo dyes
inferredcites →https://doi.org/10.1016/s0097-8485(00)00064-4openalex-snapshot
The comparative molecular surface analysis (COMSA): a novel tool for molecular design
inferredcites →https://doi.org/10.1016/s0097-8485(02)00023-2openalex-snapshot
New molecular surface-based 3D-QSAR method using Kohonen neural network and 3-way PLS
inferredcites →https://doi.org/10.1016/s0169-409x(03)00116-9openalex-snapshot
Self-organizing neural networks for pharmacophore mapping
inferredcites →https://doi.org/10.1016/s0169-7439(03)00112-6openalex-snapshot
3D-QSAR study of antifungal N-myristoyltransferase inhibitors by comparative molecular surface analysis
inferredcites →https://doi.org/10.1021/ac960321mopenalex-snapshot
Elimination of Uninformative Variables for Multivariate Calibration
inferredcites →https://doi.org/10.1021/ci010031topenalex-snapshot
The Comparative Molecular Surface Analysis (COMSA) − A Nongrid 3D QSAR Method by a Coupled Neural Network and PLS System: Predicting pKa Values of Benzoic and Alkanoic Acids
inferredcites →https://doi.org/10.1021/ci0497049openalex-snapshot
SH2 Binding Site Comparison: A New Application of the SURFCOMP Method
inferredcites →https://doi.org/10.1021/ci049944oopenalex-snapshot
On the Stability of CoMFA Models
inferredcites →https://doi.org/10.1021/ci049960lopenalex-snapshot
GRID Formalism for the Comparative Molecular Surface Analysis: Application to the CoMFA Benchmark Steroids, Azo Dyes, and HEPT Derivatives
inferredcites →https://doi.org/10.1021/ja9718937openalex-snapshot
Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism
inferredcites →https://doi.org/10.1023/b:modi.0000006536.02970.f0openalex-snapshot
Comparative molecular surface analysis: A novel tool for drug design and molecular diversity studies
inferredcites →https://doi.org/10.1051/analusis:2000141openalex-snapshot
3D quantitative structure activity relationships with CoRSA. Comparative receptor surface analysis. Application to calcium channel agonists
inferredcites →https://doi.org/10.1211/0022357991772015openalex-snapshot
Synthesis and Hypolipidaemic Evaluation of a Series of α-Asarone Analogues Related to Clofibrate in Mice
inferredcites →https://doi.org/10.1351/pac200173091445openalex-snapshot
New chemical structures of hypolipidemic and antiplatelet activity
inferredcites →https://doi.org/10.1358/dot.1998.34.11.487479openalex-snapshot
Mode of action and adverse effects of lipid lowering drugs
inferredcites →https://doi.org/10.2174/1386207043328292openalex-snapshot
Probability Issues in Molecular Design: Predictive and Modeling Ability in 3D-QSAR Schemes
inferredcites →https://doi.org/10.3390/91201148openalex-snapshot
Self-organizing Neural Networks for Modeling Robust 3D and 4D QSAR: Application to Dihydrofolate Reductase Inhibitors

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.200549210openalex-snapshot
Modeling Robust QSAR. Part 1. Coding Molecules in 3D‐QSAR — From a Point to Surface Sectors and Molecular Volumes.
inferred← citeshttps://doi.org/10.1002/jcc.25166openalex-snapshot
Web‐4D‐QSAR: A web‐based application to generate 4D‐QSAR descriptors
inferred← citeshttps://doi.org/10.1007/s00894-008-0373-1openalex-snapshot
Receptor independent and receptor dependent CoMSA modeling with IVE-PLS: application to CBG benchmark steroids and reductase activators
inferred← citeshttps://doi.org/10.1021/ci050314bopenalex-snapshot
Modeling Robust QSAR
inferred← citeshttps://doi.org/10.1080/1062936x.2018.1517278openalex-snapshot
Probability-driven 3D pharmacophore mapping of antimycobacterial potential of hybrid molecules combining phenylcarbamoyloxy and N-arylpiperazine fragments
inferred← citeshttps://doi.org/10.1517/17460441.1.7.693openalex-snapshot
Drug design using comparative molecular surface analysis
inferred← citeshttps://doi.org/10.2174/1386207317666140205195252openalex-snapshot
Structure-Based Modeling of Dye-Fiber Affinity with SOM-4D-QSAR Paradigm: Application to Set of Anthraquinone Derivatives
inferred← citeshttps://doi.org/10.3390/ijms21186583openalex-snapshot
Consensus-Based Pharmacophore Mapping for New Set of N-(disubstituted-phenyl)-3-hydroxyl-naphthalene-2-carboxamides
inferred← citeshttps://doi.org/10.3390/ijms22052772openalex-snapshot
Design, Synthesis, and Evaluation of Novel 3-Carboranyl-1,8-Naphthalimide Derivatives as Potential Anticancer Agents
inferred← citeshttps://doi.org/10.3390/ijms22105212openalex-snapshot
Two Decades of 4D-QSAR: A Dying Art or Staging a Comeback?
inferred← citeshttps://doi.org/10.3390/molecules23081964openalex-snapshot
Towards Intelligent Drug Design System: Application of Artificial Dipeptide Receptor Library in QSAR-Oriented Studies
inferred← citeshttps://doi.org/10.3390/molecules24162991openalex-snapshot
Bioactivity of Methoxylated and Methylated 1-Hydroxynaphthalene-2-Carboxanilides: Comparative Molecular Surface Analysis
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