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*  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 ...
http://gxas.cn/Gxas/scientificH.aspx?id=10
*  Molecules | Free Full-Text | Quantitative Structure-Property Relationship (QSPR) Models for a Local Quantum Descriptor:...
In order to quantify the substituents effects, quantitative structure-property relationship (QSPR) models based on the atomic ... Insecticidal Constituents and Activity of Alkaloids from Cynanchum mongolicum. Choose your preferred view mode. Please select ... Quantitative Structure-Property Relationship (QSPR) Models for a Local Quantum Descriptor: Investigation of the 4- and 3- ... Quantitative Structure-Property Relationship (QSPR) Models for a Local Quantum Descriptor: Investigation of the 4- and 3- ...
http://www.mdpi.com/1420-3049/20/9/17493
*  Patent 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. ...
http://www.google.com/patents/US6691045?dq=5,960,411
*  Quantitative 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 ...
http://readrate.com/deu/books/quantitative-structure-activity-relationship-qsar-models-of-mutagens-and-carcinogens
*  Hologram 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 ...
https://www.certara.com/citations/hologram-quantitative-structure-activity-relationship-studies-on-5-ht6-antagonists/
*  Quantitative 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 ...
https://www.vitalsource.com/en-uk/products/quantitative-structure-activity-relationship-romualdo-benigni-v9780203010822
*  IJMS | Free Full-Text | Quantitative Structure-Activity Relationships Predicting the Antioxidant Potency of 17β-Estradiol...
... quantitative structure-activity relationship (QSAR) studies were conducted. The inhibition of Fe3+-induced lipid peroxidation ... In order to relate their molecular structure and properties with their capacity to inhibit lipid peroxidation, a marker of ... Quantitative structure-activity relationship (QSAR) studies connecting the estrogen structure and ER-binding ability necessary ... Cheng, Z.Y.; Ren, J.; Li, Y.Z.; Chang, W.B.; Chen, Z.D. Establishment of a quantitative structure-activity relationship model ...
http://www.mdpi.com/1422-0067/14/1/1443/htm
*  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 ...
https://www.certara.com/citations/molecular-docking-and-3d-quantitative-structure-activity-relationship-analyses-of-peptidyl-vinyl-sulfones-plasmodium-falciparum-cysteine-proteases-inhibitors/
*  IJMS | Free Full-Text | Three Dimensional Quantitative Structure-Activity Relationship of 5H-Pyrido[4,3-b]indol-4-carboxamide...
The three dimensional quantitative structure-activity relationships have been studied on a series of JAK2 inhibitors by ... The CoMFA and CoMSIA models showed strong predictive ability, and the 3D contour plots give the basis on the structure ... The contributions of steric and electrostatic fields to the activity are 55.2% and 44.8%, respectively. For the CoMSIA study, ... The contributions of steric, electrostatic, hydrophobic, hydrogen bond donor, and hydrogen bond donor fields to the activity ...
http://www.mdpi.com/1422-0067/14/6/12037/notes
*  Explore PiHKAL#96 M; SI#91 Mescaline | TiHKAL · info
Explore the structures and analogues of M · EA-1306 · Mescaline · Mescaline · 3,4,5-Trimethoxyphenethylamine in book II of ... Structure-activity relationships of phenylalkylamines as agonist ligands for 5-HT2A receptors. ChemMedChem, 15 Sep 2008, 3 (9 ... Chemistry and structure-activity relationships of the psychotomimetics. In Psychotomimetic Drugs; Efron, DH, Ed., Raven Press, ... Psychotomimetic drugs: structure-activity relationships. In Handbook of Psychopharmacology: Stimulants; Iversen, LL; Iversen, ...
http://isomerdesign.com/PiHKAL/explore.php?domain=tk&id=96
*  Structure-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 ...
https://en.wikipedia.org/wiki/Structure%E2%80%93activity_relationship
*  Quantitative 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 ...
https://en.wikipedia.org/wiki/Quantitative_structure%E2%80%93activity_relationship
*  Truncated 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 ...
https://www.rti.org/publication/truncated-orexin-peptides-structure-activity-relationship-studies
*  OECD 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 ...
http://www.oecd.org/chemicalsafety/testing/oecdquantitativestructure-activityrelationshipsprojectqsars.htm
*  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 ...
http://www.biomedsearch.com/nih/Structure-activity-relationship-naphthaldehydethiosemicarbazones-in/22217872.html
*  Molecules | 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 ...
http://www.mdpi.com/1420-3049/22/5/697
*  Combination 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 ...
https://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 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 ...
https://www.mdpi.com/1422-0067/19/2/392
*  Automated Structure-Activity Relationship Mining: Connecting Chemical Structure to Biological Profiles. | Broad Institute
Structure-Activity Relationship. Abstract. Understanding the structure-activity relationships (SARs) of small molecules is ... Many of these methods are not generally applicable or reduce the activity space to scalar summary statistics before ... The rules connect chemical structural features of compounds to patterns in their biological activity profiles. We applied our ... few computational methods are available to support SAR analyses of high-dimensional compound activity profiles. ...
https://www.broadinstitute.org/publications/broad5661
*  Advancement of Structure-Activity Relationship of Multidrug Resistance-Associated Protein 2 Interactions | SpringerLink
ABC transporters ADME/Tox MRP2/ABCC2 structure-activity relationship Abbreviations. ADME/Tox. absorption, distribution, ... Review Article Theme: Structure-Activity Relationships for ABC Transporters. First Online: 03 June 2009. ... Quantitative structure activity relationship studies on the flavonoid mediated inhibition of multidrug resistance proteins 1 ... Due to its important role in defining ADME/Tox properties, efforts have emerged to build the structure-activity relationship ( ...
https://link.springer.com/article/10.1208/s12248-009-9117-0
*  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. ... Synthesis and structure-activity relationship of 4-pyridones as potential antimalarials. J. Med. Chem., 51: 2845-2852. DOI: ... Density functional theory based quantitative structure activity relationship study of 2,5-bis(1-aziridinyl)-p-benzoquinones ...
http://www.biomedsearch.com/article/Antiviral-quantitative-structure-activity-relationship/283456090.html
*  Structure-activity relationships of non-steroid anti-inflammatory drugs 1. Gastric ulcerogenic activity | SpringerLink
A comparison was performed of structure with gastric ulcerogenic activity of a range of acidic and one group of non-acidic ( ... Structure-activity relationships of non-steroid anti-inflammatory drugs 1. Gastric ulcerogenic activity. ... H. Terada, S. Muraoka andT. Fujita,Structure-Activity Relationships of Fenamic Acids, J. Med. Chem.17, 330-334 (1974).PubMed ... C. Hansch,Quantitative Structure-Activity Relationships in Drug Design, in:Drug. Design. (Ed. E.J. Ariëns; Academic Press, New ...
https://link.springer.com/article/10.1007%2FBF01998888
*  Structure-activity relationships in aminocyclopentitol glycosidase inhibitors - Organic & Biomolecular Chemistry (RSC...
Structure-activity relationships in aminocyclopentitol glycosidase inhibitors. Lucas Gartenmann Dickson,a Emmanuel Leroya and ... Structure-activity relationships in aminocyclopentitol glycosidase inhibitors. L. Gartenmann Dickson, E. Leroy and J. Reymond, ... A structure-activity relationship analysis was carried out including data from thirty-five different aminocyclopentitol ... The inhibitory activities observed were generally stronger compared to those of their primary amine. analogs. ...
http://pubs.rsc.org/en/Content/ArticleLanding/2004/OB/B315704K
*  Molecules | Free Full-Text | Antiplasmodial Activity, Cytotoxicity and Structure-Activity Relationship Study of Cyclopeptide...
A qualitative SAR (structure-activity relationship) study indicated that a 13-membered macrocyclic ring is preferable over a 14 ... In addition, QSAR (quantitative structure-activity relationship) models were developed, using PLS (partial least squares ... responsible for the antiplasmodial activity. Additionally, predictions made for interesting structures did not contradict the ... In vitro antiplasmodial activity was shown before for several compounds belonging to this class, and in this paper the ...
https://www.mdpi.com/1420-3049/22/2/224/xml