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

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 ...
more infohttp://readrate.com/deu/books/quantitative-structure-activity-relationship-qsar-models-of-mutagens-and-carcinogens

Quantitative structure activity relationships for predicting fate and effects of chemicals in the environmentQuantitative structure activity relationships for predicting fate and effects of chemicals in the environment

... instrument for the assessment of environmental risks of chemical substances based on their structure-activity relationships ... Quantitative structure activity relationships for predicting fate and effects of chemicals in the environment. ... instrument for the assessment of environmental risks of chemical substances based on their structure-activity relationships ... EC Framework 4 Funding Programme FP4 of European Community activities in the field of research and technological development ...
more infohttp://www.eugris.info/displayProject.asp?ProjectID=4542&Aw=&Cat=Project

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...

Multiple linear regressions were employed to model the relationships between molecular descriptors and biological activity of ... Accordingly can be offered a quantitative model, and interpret the activity of the compounds relying on the multivariate ... 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 ...
more infohttp://gxas.cn/Gxas/scientificH.aspx?id=10

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/

BIOTECHNO 2012BIOTECHNO 2012

... quantitative structure-activity relationships; Protein-ligand docking and scoring functions; Chemical similarity and diversity ... quantitative structure-property relationships; Theoretical models in chemical reactivity; Mathematical chemistry and chemical ... Macromolecular structure prediction; Proteomics; Protein folding and fold recognition; Molecular sequence and structure ... Identifying molecular sequence and structure databases; Mechanisms for specifying molecular interactions and structure ...
more infohttps://www.iaria.org/conferences2012/BIOTECHNO12.html

Structure-activity relationship - WikipediaStructure-activity relationship - Wikipedia

The structure-activity relationship (SAR) is the relationship between the chemical or 3D structure of a molecule and its ... Combinatorial chemistry Congener Conformation activity relationship Quantitative structure-activity relationship Sims, Gerald; ... known as quantitative structure-activity relationships (QSAR). A related term is structure affinity relationship (SAFIR). The ... Mani, S.V.; D.W. Connell; R.D. Braddock (1991). "Structure activity relationships for the prediction of biodegradability of ...
more infohttps://en.wikipedia.org/wiki/Structure%E2%80%93activity_relationship

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

Some examples are quantitative structure-reactivity relationships (QSRRs), quantitative structure-chromatography relationships ... 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 ... Quantitative structure-activity relationship models (QSAR models) are regression or classification models used in the chemical ...
more infohttps://en.wikipedia.org/wiki/Quantitative_structure%E2%80%93activity_relationship

Truncated Orexin Peptides: Structure-Activity Relationship Studies | RTITruncated Orexin Peptides: Structure-Activity Relationship Studies | RTI

The goal of this study was to further investigate the structure-activity relationships of these peptides and to identify the ... German, N., Decker, A., Gilmour, B., Thomas, B., & Zhang, Y. (2013). Truncated Orexin Peptides: Structure-Activity Relationship ... The goal of this study was to further investigate the structure-activity relationships of these peptides and to identify the ... The conformation of the C-terminus might also be a defining factor in agonist activity and selectivity of the orexin peptides ...
more infohttps://www.rti.org/publication/truncated-orexin-peptides-structure-activity-relationship-studies

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

... 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

... 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

Structure-activity relationship of naphthaldehydethiosemicarbazones in melanogenesis inhibition.Structure-activity relationship of naphthaldehydethiosemicarbazones in melanogenesis inhibition.

Previous Document: Enzymatic transformation of caffeic acid with enhanced cyclooxygenase-2 inhibitory activity.. Next Document: ... It was observed that replacement of either of these hydrogens at N1 or N3 by substituents increases the activity significantly ... In addition, the presence of sulfur in thiosemicarbazone is essential for the activity.. ... a series of analogs 15a-p were synthesized and evaluated for anti-melanogenic activity using melanoma B16 cells under the ...
more infohttp://www.biomedsearch.com/nih/Structure-activity-relationship-naphthaldehydethiosemicarbazones-in/22217872.html

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

Structure-activity relationships of anabolic steroids - WikipediaStructure-activity relationships of anabolic steroids - Wikipedia

The structure-activity relationships (SAR) of anabolic steroids (AAS) have been extensively studied.[1][2][3][4] ... pathological findings and structure-activity relationships". Handb Exp Pharmacol (195): 459-84. doi:10.1007/978-3-540-79088-4_ ... Retrieved from "https://en.wikipedia.org/w/index.php?title=Structure-activity_relationships_of_anabolic_steroids&oldid= ... confers increased anabolic activity but decreased androgenic activity, resulting in a much greater ratio of anabolic to ...
more infohttps://en.m.wikipedia.org/wiki/Structure%E2%80%93activity_relationships_of_anabolic_steroids

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

Structure-activity relationships of the oxindole growth hormone secretagogues.  - PubMed - NCBIStructure-activity relationships of the oxindole growth hormone secretagogues. - PubMed - NCBI

Structure-activity relationships of the oxindole growth hormone secretagogues.. Tokunaga T1, Hume WE, Nagamine J, Kawamura T, ... Compound 4i (IC(50)=0.02 nM) was orally active at low doses and showed in vivo activity when orally administered, 2 mg/kg twice ...
more infohttps://www.ncbi.nlm.nih.gov/pubmed/15780607?dopt=Abstract

Molecules | Free Full-Text | Special Issue Structure-Activity Relationship of Natural ProductsMolecules | Free Full-Text | Special Issue "Structure-Activity Relationship of Natural Products"

This Special Issue of Molecules deals with the structure-activity relationship of natural compounds which possess some ... Structure-Activity and Lipophilicity Relationships of Selected Antibacterial Natural Flavones and Flavanones of Chilean Flora ... "Special Issue "Structure-Activity Relationship of Natural Products"." Molecules 22, no. 5: 697. ... This Special Issue of Molecules deals with the structure-activity relationship of natural compounds which possess some ...
more infohttp://www.mdpi.com/1420-3049/22/5/697

Combination Chemistry: Structure-Activity Relationships of Novel Psychoactive Cannabinoids | RTICombination Chemistry: Structure-Activity Relationships of Novel Psychoactive Cannabinoids | RTI

... they were replaced with additional synthetic cannabinoids withincreasingly diverse chemical structures. This chapter focuses on ... Originally developed as research tools for use in structure-activity relationship studies, synthetic cannabinoids contributed ... Wiley, J. L., Marusich, J., & Thomas, B. F. (2016). Combination Chemistry: Structure-Activity Relationships of Novel ... Originally developed as research tools for use in structure-activity relationship studies, synthetic cannabinoids contributed ...
more infohttps://www.rti.org/publication/combination-chemistry-structure%E2%80%93activity-relationships-novel-psychoactive-cannabinoids

IJMS | Free Full-Text | Dissecting the Structure-Activity Relationship of Galectin-Ligand InteractionsIJMS | Free Full-Text | Dissecting the Structure-Activity Relationship of Galectin-Ligand Interactions

... aiming at the dissection of the structure-activity relationship to demonstrate how inhibitors interact with galectin(s). We ... Accumulating evidence indicates that they play a pivotal role in numerous physiological and pathological activities, such as ... Chan Y-C, Lin H-Y, Tu Z, Kuo Y-H, Hsu S-TD, Lin C-H. Dissecting the Structure-Activity Relationship of Galectin-Ligand ... Chan, Y.-C.; Lin, H.-Y.; Tu, Z.; Kuo, Y.-H.; Hsu, S.-T.D.; Lin, C.-H. Dissecting the Structure-Activity Relationship of ...
more infohttps://www.mdpi.com/1422-0067/19/2/392

Development of structure-activity relationship for metal oxide nanoparticles - Nanoscale (RSC Publishing)Development of structure-activity relationship for metal oxide nanoparticles - Nanoscale (RSC Publishing)

Nanomaterial structure-activity relationships (nano-SARs) for metal oxide nanoparticles (NPs) toxicity were investigated using ... Development of structure-activity relationship for metal oxide. nanoparticles Rong Liu,a Hai Yuan Zhang,a Zhao Xia Ji,a Robert ... Development of structure-activity relationship for metal oxide. nanoparticles R. Liu, H. Y. Zhang, Z. X. Ji, R. Rallo, T. Xia, ... Nanomaterial structure-activity relationships (nano-SARs) for metal oxide. nanoparticles. (NPs) toxicity were investigated ...
more infohttps://pubs.rsc.org/en/content/articlelanding/2013/NR/C3NR01533E