Patent US6691045 - Method for determining discrete quantitative structure activity relationships - Google PatentsPatent US6691045 - Method for determining discrete quantitative structure activity relationships - Google Patents

... transforming and estimating steps for each of the activity classes; and, developing a probability distribution for the activity ... set of chemical compounds with molecular descriptors consisting of a number of multidimensional vectors with an activity class ... Method for developing a quantitative structure activity relationship that includes obtaining a training ... Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships, J. ...
more infohttp://www.google.com/patents/US6691045?dq=5,960,411

Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens 1st edition | 9780849315077 | VitalSourceQuantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens 1st edition | 9780849315077 | VitalSource

Buy or Rent Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens as an eTextbook and get ... Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens by Romualdo Benigni ... Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens 1st Edition by Romualdo Benigni and ...
more infohttps://www.vitalsource.com/en-uk/products/quantitative-structure-activity-relationship-romualdo-benigni-v9780203010822

Synthesis, ligand binding, and quantitative structure-activity relationship study of 3 beta-(4-substituted phenyl)-2 beta...Synthesis, ligand binding, and quantitative structure-activity relationship study of 3 beta-(4'-substituted phenyl)-2 beta...

These quantitative structure-activity relationship studies are consistent with an electrostatic contribution to the binding ... Synthesis, ligand binding, and quantitative structure-activity relationship study of 3 beta-(4-substituted phenyl)-2 beta- ... Synthesis, ligand binding, and quantitative structure-activity relationship study of 3 beta-(4-substituted phenyl)-2 beta- ... and quantitative structure-activity relationship study of 3 beta-(4-substituted phenyl)-2 beta-heterocyclic tropanes: evidence ...
more infohttps://www.rti.org/publication/synthesis-ligand-binding-and-quantitative-structure-activity-relationship-study-3-beta-4

Three-Dimensional Quantitative Structure-Activity Relationship for Inhibition of Human Ether-a-Go-Go-Related Gene Potassium...Three-Dimensional Quantitative Structure-Activity Relationship for Inhibition of Human Ether-a-Go-Go-Related Gene Potassium...

Three-Dimensional Quantitative Structure-Activity Relationship for Inhibition of Human Ether-a-Go-Go-Related Gene Potassium ... Three-Dimensional Quantitative Structure-Activity Relationship for Inhibition of Human Ether-a-Go-Go-Related Gene Potassium ... Three-Dimensional Quantitative Structure-Activity Relationship for Inhibition of Human Ether-a-Go-Go-Related Gene Potassium ... Three-Dimensional Quantitative Structure-Activity Relationship for Inhibition of Human Ether-a-Go-Go-Related Gene Potassium ...
more infohttp://jpet.aspetjournals.org/content/301/2/427/tab-article-info

Hologram Quantitative Structure Activity Relationship Studies on 5-HT6 Antagonists - CertaraHologram Quantitative Structure Activity Relationship Studies on 5-HT6 Antagonists - Certara

Predictive hologram quantitative structure activity relationship (HQSAR) models were developed for a series of arylsulfonamide ... Hologram Quantitative Structure Activity Relationship Studies on 5-HT6 Antagonists. Hologram Quantitative Structure Activity ...
more infohttps://www.certara.com/citations/hologram-quantitative-structure-activity-relationship-studies-on-5-ht6-antagonists/

Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens, Buch. Romualdo Benigni - ReadRateQuantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens, Buch. Romualdo Benigni - ReadRate

Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens von Romualdo Benigni und Buchbewertungen ... Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens. *Romualdo Benigni ... emerging field through the contributions of leading experts from around the world.Quantitative Structure-Activity Relationship ... to identifying toxic chemicals solely by their chemical structure, and to the design of safer chemicals. The contents include a ...
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A Density Function Theory Based Quantitative Structure Activity Relationships Study of Thiazoline Derivatives as Anticancer...A Density Function Theory Based Quantitative Structure Activity Relationships Study of Thiazoline Derivatives as Anticancer...

Accordingly can be offered a quantitative model, and interpret the activity of the compounds relying on the multivariate ... Multiple linear regressions were employed to model the relationships between molecular descriptors and biological activity of ... Descriptors of quantum mechanics of 21 thiazoline derivatives with known activity were obtained. ... We find that the anticancer activity expressed that as half maximal inhibitory concentration (IC50), closely relates to the ...
more infohttp://ijac.journals.pnu.ac.ir/article_2178_116.html

Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for...Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for...

Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for ... 您现在的位置:科技处 , 论文专著 , Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB- ... Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for ...
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Molecular Docking and 3D-quantitative Structure Activity Relationship Analyses of Peptidyl Vinyl Sulfones: Plasmodium...Molecular Docking and 3D-quantitative Structure Activity Relationship Analyses of Peptidyl Vinyl Sulfones: Plasmodium...

... based on three-dimensional quantitative structure-activity relationship (3D-QSAR) studies were conducted on a series (39 ... Molecular Docking and 3D-quantitative Structure Activity Relationship Analyses of Peptidyl Vinyl Sulfones: Plasmodium ... Molecular Docking and 3D-quantitative Structure Activity Relationship Analyses of Peptidyl Vinyl Sulfones: Plasmodium ...
more infohttps://www.certara.com/citations/molecular-docking-and-3d-quantitative-structure-activity-relationship-analyses-of-peptidyl-vinyl-sulfones-plasmodium-falciparum-cysteine-proteases-inhibitors/

ChemAxon - Software Solutions and Services for Chemistry & BiologyChemAxon - Software Solutions and Services for Chemistry & Biology

Simulations using linear and nonlinear datasets and quantitative structure-activity relationship (QSAR) and quantitative ... structure-property relationship (QSPR) datasets confirm that GTM-MLR and GTMR enable data visualization, regression analysis, ... and the posterior probability distribution of the property/activity or objective variable (y) given X is calculated with MLR; ...
more infohttps://chemaxon.com/publication/data-visualization-regression-applicability-domains-and-inverse-analysis-based-on-generative-topographic-mapping

3D-QSAR studies of checkpoint kinase 1 inhibitors based on molecular docking and CoMFA3D-QSAR studies of checkpoint kinase 1 inhibitors based on molecular docking and CoMFA

Three-dimensional quantitative structure-activity relationship (3D-QSAR) studies were performed on a series of substituted 1,4- ... The analyses may be used to design more potent 1,4-dihydroindeno[1,2-c]pyrazoles derivatives and predict their activity prior ... pyrazoles derivatives that are responsible for checkpoint kinase 1 inhibitory activity. ...
more infohttps://espace.curtin.edu.au/handle/20.500.11937/25978

OECD Quantitative Structure-Activity Relationships Project [(Q)SARs]  - OECDOECD Quantitative Structure-Activity Relationships Project [(Q)SARs] - OECD

... quantitative) structure-activity relationship [(Q)SAR] models for their use in regulatory assessment of chemical safety. (Q) ... SARs are methods for estimating the toxicity and other properties of a chemical from its molecular structure. ... OECD Quantitative Structure-Activity Relationships Project [(Q)SARs] (Quantitative) Structure-Activity Relationships [(Q)SARs] ... OECD Home Chemical safety and biosafetyTesting of chemicalsOECD Quantitative Structure-Activity Relationships Project [(Q)SARs ...
more infohttp://www.oecd.org/chemicalsafety/testing/oecdquantitativestructure-activityrelationshipsprojectqsars.htm

OECD Quantitative Structure-Activity Relationships Project [(Q)SARs]  - OECDOECD Quantitative Structure-Activity Relationships Project [(Q)SARs] - OECD

... quantitative) structure-activity relationship [(Q)SAR] models for their use in regulatory assessment of chemical safety. (Q) ... SARs are methods for estimating the toxicity and other properties of a chemical from its molecular structure. ... OECD Quantitative Structure-Activity Relationships Project [(Q)SARs] (Quantitative) Structure-Activity Relationships [(Q)SARs] ... Environment DirectorateChemical safety and biosafetyAssessment of chemicalsOECD Quantitative Structure-Activity Relationships ...
more infohttp://www.oecd.org/env/ehs/risk-assessment/oecdquantitativestructure-activityrelationshipsprojectqsars.htm

Quantitative Structure-Activity Relationships of Aquatic Narcosis...: Ingenta ConnectQuantitative Structure-Activity Relationships of Aquatic Narcosis...: Ingenta Connect

... quantitative structure-activity relationship) techniques. Among these methods, QSAR is found to be the best as it is based on ... Addition of some more structural descriptors improves the structure-toxicity relationship. Among these, electronic descriptors ... which is the crux in biological activity. Accordingly, the toxicological activities have good correlations with log P. ... molecular structure only. The descriptors used in deriving the model in QSAR vary according to the nature of the narcotics as ...
more infohttps://www.ingentaconnect.com/contentone/ben/cad/2018/00000014/00000001/art00005

Quantitative structure-activity relationship for estrogenic flavonoids from Psoralea corylifolia.  - PubMed - NCBIQuantitative structure-activity relationship for estrogenic flavonoids from Psoralea corylifolia. - PubMed - NCBI

Quantitative structure-activity relationship for estrogenic flavonoids from Psoralea corylifolia.. Zhang T1, Zhong S1, Meng Y1 ... Furthermore, quantitative structure-activity relationship (QSAR) analysis was performed by the calculated binding energies of ... A combination of in vitro and in silico approaches was employed to investigate the estrogenic activities of flavonoid compounds ... indicating that the estrogenic potency of flavonoids is structure-dependent. In conclusion, molecular docking can potentially ...
more infohttps://www.ncbi.nlm.nih.gov/pubmed/30149188

Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens: 1st Edition (Hardback) - RoutledgeQuantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens: 1st Edition (Hardback) - Routledge

Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens focuses on the use of QSAR modeling in ... Quantitative Structure-Activity Relationships for Acute Aquatic Toxicity: the Role of Mechanisms of Toxic Action in Successful ... Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens. 1st Edition. ... Mechanisms of Action of Chemical Carcinogens and their Role in Structure-Activity Relationships (SAR) Analysis and Risk ...
more infohttps://www.routledge.com/Quantitative-Structure-Activity-Relationship-QSAR-Models-of-Mutagens/Benigni/p/book/9780849315077

Antiviral and quantitative structure activity
relationship study for dihydropyridones derived from
curcumin.Antiviral and quantitative structure activity relationship study for dihydropyridones derived from curcumin.

Antiviral and quantitative structure activity relationship study for dihydropyridones derived from curcumin. ... Antiviral and quantitative structure activity relationship study for dihydropyridones derived from curcumin. ... Density functional theory based quantitative structure activity relationship study of 2,5-bis(1-aziridinyl)-p-benzoquinones ... Synthesis and structure-activity relationship of 4-pyridones as potential antimalarials. J. Med. Chem., 51: 2845-2852. DOI: ...
more infohttp://www.biomedsearch.com/article/Antiviral-quantitative-structure-activity-relationship/283456090.html

Quantitative structure-activity relationship - WikipediaQuantitative structure-activity relationship - Wikipedia

Some examples are quantitative structure-reactivity relationships (QSRRs), quantitative structure-chromatography relationships ... QSCRs) and, quantitative structure-toxicity relationships (QSTRs), quantitative structure-electrochemistry relationships (QSERs ... one can find a mathematical relationship, or quantitative structure-activity relationship, between the two. The mathematical ... While many quantitative structure activity relationship analyses involve the interactions of a family of molecules with an ...
more infohttps://en.wikipedia.org/wiki/Quantitative_structure%E2%80%93activity_relationship

21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug...21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug...

21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug ... Ligand Based and Structure Based Approaches. Computational Biology and Quantum Enzymology. Computationally-Driven Drug ...
more infohttps://www.rsc.org/events/detail/21012/21st-euroqsar-21st-european-symposium-on-quantitative-structure-activity-relationship-where-molecular-simulations-meet-drug-discovery

21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug...21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug...

21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug ... Ligand Based and Structure Based Approaches. Computational Biology and Quantum Enzymology. Computationally-Driven Drug ...
more infohttps://www.rsc.org/events/detail/21012/21st-euroqsar-21st-european-symposium-on-quantitative-structure-activity-relationship-where-molecular-simulations-meet-drug-discovery/introduction

Molecules | Free Full-Text | Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying...Molecules | Free Full-Text | Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying...

In this study, we used best multiple linear regression (BMLR) to develop quantitative structure activity relationship (QSAR) ... is a major constituent of the bark of the cinnamon tree and possesses broad-spectrum antimicrobial activity. ... Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying Fungi by Dongmei Yang. , Hui ... "Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying Fungi." Molecules 21, no. 11: ...
more infohttps://www.mdpi.com/1420-3049/21/11/1563

Synthesis of chalcones with antiproliferative activity on the SH-SY5Y neuroblastoma cell line: Quantitative Structure-Activity...Synthesis of chalcones with antiproliferative activity on the SH-SY5Y neuroblastoma cell line: Quantitative Structure-Activity...

Chalcones are a group of molecules with a broad spectrum of biological activities, being especially appealing for their ... A quantitative structure activity relationship for antitumor-activity of long-chain phenols from Ginkgo-Biloba L. Chem Pharm ... Boiani M, Cerecetto H, Gonzalez M (2004) Cytotoxicity of furoxans: quantitative structure-activity relationships study. Farmaco ... Karcher W, Devillers J (1990) Practical applications of quantitative structure - activity relationships (QSAR) on environmental ...
more infohttps://link.springer.com/article/10.1007%2Fs00044-018-2245-2

Quantitative Structure-Activity Relationships of Aquatic Narcosis: A Review | Bentham ScienceQuantitative Structure-Activity Relationships of Aquatic Narcosis: A Review | Bentham Science

Quantitative Structure-Activity Relationships of Aquatic Narcosis: A Review. Author(s): Chandana Adhikari, Centre of Studies in ... Chandana Adhikari and Bijay kumar Mishra*, "Quantitative Structure-Activity Relationships of Aquatic Narcosis: A Review", ... quantitative structure-activity relationship) techniques. Among these methods, QSAR is found to be the best as it is based on ... quantitative structure-activity relationship) techniques. Among these methods, QSAR is found to be the best as it is based on ...
more infohttp://www.eurekaselect.com/node/154121/article/quantitative-structure-activity-relationships-of-aquatic-narcosis-a-review

Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Human CYP51 Inhibitors | Drug Metabolism &...Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Human CYP51 Inhibitors | Drug Metabolism &...

Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Human CYP51 Inhibitors. Sean Ekins, Dayna C. ... Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Human CYP51 Inhibitors. Sean Ekins, Dayna C. ... Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Human CYP51 Inhibitors. Sean Ekins, Dayna C. ... Three-Dimensional Quantitative Structure-Activity Relationship Analysis of Human CYP51 Inhibitors Message Subject (Your Name) ...
more infohttp://dmd.aspetjournals.org/content/35/3/493/tab-e-letters