Academic literature on the topic 'Structure-activity relationship'

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Journal articles on the topic "Structure-activity relationship"

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Muhammad, Imran Qadir. "Recent Structure Activity Relationship Studies of 1,4-Benzodiazepines." Open Journal of Chemistry 1, no. 1 (2015): 008–12. https://doi.org/10.17352/ojc.000002.

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Structure activity relationship studies of 1,4-benzodiazepines have been discussed especially with their effects as antianxiety and anticonvulsants. The currently available benzodiazepines are associated with various side effects. Nowadays the purpose of these studies is to minimize side effects with these drugs. A very little alteration is possible on the benzene ring while the modification can be done on the diazepine ring. It can adopt the different conformations and in some cases some aromatic and heterocyclic rings have been fused with this part in order to see the effect of these conform
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Weng, X. C., and Y. Huang. "Relationship structure-antioxidant activity of hindered phenolic compounds." Grasas y Aceites 65, no. 4 (2014): e051. http://dx.doi.org/10.3989/gya.0225141.

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Awad, Mohamed K., Saida A. El-Enien, and Mohammed H. Rizk. "Quantitative Structure-Trypanocidal Activity Relationship Analysis of Phenothiazine Derivatives." Indian Journal of Applied Research 3, no. 9 (2011): 65–68. http://dx.doi.org/10.15373/2249555x/sept2013/20.

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NAKAGAWA, Yoshiaki. "Quantitative Structure-Activity Relationship." Japanese Journal of Pesticide Science 38, no. 1 (2013): 1. http://dx.doi.org/10.1584/jpestics.w12-39.

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Wawer, Mathias J., David E. Jaramillo, Vlado Dančík, et al. "Automated Structure–Activity Relationship Mining." Journal of Biomolecular Screening 19, no. 5 (2014): 738–48. http://dx.doi.org/10.1177/1087057114530783.

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Understanding the structure–activity relationships (SARs) of small molecules is important for developing probes and novel therapeutic agents in chemical biology and drug discovery. Increasingly, multiplexed small-molecule profiling assays allow simultaneous measurement of many biological response parameters for the same compound (e.g., expression levels for many genes or binding constants against many proteins). Although such methods promise to capture SARs with high granularity, few computational methods are available to support SAR analyses of high-dimensional compound activity profiles. Man
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Nagamurthi, G., and S. Rambhav. "Gramicidin-S: Structure-activity relationship." Journal of Biosciences 7, no. 3-4 (1985): 323–29. http://dx.doi.org/10.1007/bf02716794.

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oa^Ribeiro, F. Ram, F. Alvarez, C. Henriques, F. Lemos, J. M. Lopes, and M. F. Ribeiro. "Structure-activity relationship in zeolites." Journal of Molecular Catalysis A: Chemical 96, no. 3 (1995): 245–70. http://dx.doi.org/10.1016/1381-1169(94)00058-1.

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Almi, Zineb, Salah Belaidi, Nadjib Melkemi, Salima Boughdiri, and Lotfi Belkhiri. "Structure Activity Relationship and Quantitative Structure-Activity Relationships Modeling of Cyto-Toxicity of Phenothiazine Derivatives." Quantum Matter 5, no. 1 (2016): 124–29. http://dx.doi.org/10.1166/qm.2016.1264.

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Wawer, Mathias, Lisa Peltason, Nils Weskamp, Andreas Teckentrup, and Jürgen Bajorath. "Structure−Activity Relationship Anatomy by Network-like Similarity Graphs and Local Structure−Activity Relationship Indices." Journal of Medicinal Chemistry 51, no. 19 (2008): 6075–84. http://dx.doi.org/10.1021/jm800867g.

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Belaidi, Salah, Toufik Salah, Nadjib Melkemi, Leena Sinha, and Onkar Prasad. "Structure Activity Relationship and Quantitative Structure-Activity Relationships Modeling of Antitrypanosomal Activities of Alkyldiamine Cryptolepine Derivatives." Journal of Computational and Theoretical Nanoscience 12, no. 9 (2015): 2421–27. http://dx.doi.org/10.1166/jctn.2015.4042.

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Dissertations / Theses on the topic "Structure-activity relationship"

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Just, Baringo Xavier. "Thiopeptides: Synthesis and Structure-Activity Relationship Studies." Doctoral thesis, Universitat de Barcelona, 2013. http://hdl.handle.net/10803/128268.

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The present doctoral thesis has been devoted to the development of a new synthetic strategy to obtain a new member of the thiopeptide, or thiazolyl peptide, family of antibiotics. This new member, baringolin, was isolated and characterized by the Spanish pharmaceutical company Instituto Biomar S.A. Although a structure was proposed, no stereochemical information was provided. Thus, this thesis has several objectives; first, a novel modular and straightforward strategy must be developed to achieve its total synthesis, but also to facilitate the preparation of analogues. The achievement of the t
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Tomita, Kenji. "Structure-activity Relationship Study on GPR54 Agonists." 京都大学 (Kyoto University), 2009. http://hdl.handle.net/2433/124039.

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Dale, Clare Louise. "Fluorescent A₁-adenosine agonists : a structure activity relationship." Thesis, University of Nottingham, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.440124.

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Gabrielli, William Fullard. "Structure activity relationship studies of ochratoxin A analogues." Thesis, Stellenbosch : Stellenbosch University, 2002. http://hdl.handle.net/10019.1/53070.

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Thesis (MSc)--Stellenbosch University, 2002.<br>ENGLISH ABSTRACT: Mycotoxins have assumed worldwide importance due to the ubiquitous occurrence of toxigenic fungi, their infestation of plant-based foods and feeds and the subsequent economical and health impact it because of their contamination of commercial products. Ochratoxin A (OA) is a nephrotoxic mycotoxin produced by isolates of Aspergillus ochraceus and Penicillium verrucosum and occurs frequently in nature. The major target for toxicity of OA in mammalian species is the kidneys and it has been the major cause of Danish Porcine N
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Li, Ju-Yun. "Quantitative structure-activity relationship studies in medicinal chemistry." Case Western Reserve University School of Graduate Studies / OhioLINK, 1995. http://rave.ohiolink.edu/etdc/view?acc_num=case1062596938.

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Oosting, Peter. "Bicyclic Tramadol analogues : towards a structure-activity relationship." Bordeaux 1, 2007. http://www.theses.fr/2007BOR13413.

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Le traitement de la douleur est un domaine d'importance croissante dans la médecine. Pour les douleurs sévères, les opiacés restent parmi les médicaments les plus utilisés, mais ils présent cependant des effets secondaires sérieux, c'est pourquoi les chercheurs continuent à développer de nouveaux analgésiques. Le Tramadol, un opiacé partiel avec un mécanisme particulier, n'induit pas les effets secondaires associés avec la plupart des opiacés. Il a été utilisé durant des années pour le traitement des douleurs modérées et sévères. Cette thèse décrit la synthèse de composés dérivés du Tramadol,
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Musa, Muftah Miloud A. "Structure activity relationship studies of new ethylene antagonists." Thesis, Curtin University, 2016. http://hdl.handle.net/20.500.11937/77805.

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Ethylene antagonists provide one of the most effective methods to reduce postharvest losses of horticulture produce. The understanding of the mode of action of 1-methylcyclopropene led to the discovery of a new class of ethylene antagonist. Cycloproparenes, benzocyclopropene and 1H-naphtho[b]cyclopropene were prepared and showed excellent inhibition of the effect of ethylene on some fruits and waxflowers.
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Dimayuga, Mario Arnulfo De Leon. "Structure-activity relationship studies of biological activities of chemicals." Case Western Reserve University School of Graduate Studies / OhioLINK, 1991. http://rave.ohiolink.edu/etdc/view?acc_num=case1055532031.

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Fontaine, Jean Gonzague. "Inhibition of HSP90 with pochoximes : structure-activity relationship and structure-based insights." Strasbourg, 2010. http://www.theses.fr/2010STRA6030.

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Les protéines de choc thermique sont essentielles au maintien de l’activité cellulaire, par leur implication dans la stabilisation de leurs protéines clientes. En raison de ce rôle clef, elles sont directement impliquées dans de nombreuses affections comme le cancer, le diabète et les processus inflammatoires. L’identification de plusieurs inhibiteurs de la protéine de choc thermique de 90kDa (HSP90), par un mode d’action unique (inhibition de la poche ATPase) permis le développement d’une nouvelle classe d’anticancéreux. La geldanamycin et le radicicol, deux composés naturels ont Eté instrume
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Malet, Nicolas. "Structure-activity relationship and biosynthesis of the methylenomycin furans." Thesis, University of Warwick, 2012. http://wrap.warwick.ac.uk/54119/.

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Today, more than 70 % of clinically-used antibiotics are produced by Streptomyces species. However, it is estimated that only 1 % of secondary metabolites produced by these bacteria have been discovered to date. Chemical communication in bacteria is defined as producing and responding to signalling molecules, which govern physiological processes, including antibiotic production and morphological differentiation. By understanding the signalling mechanisms of such molecules, new bioactive metabolites, of value to society, can be discovered. Examples of well characterized signalling molecules inc
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Books on the topic "Structure-activity relationship"

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Dastmalchi, Siavoush, Maryam Hamzeh-Mivehroud, and Babak Sokouti. Quantitative Structure–Activity Relationship. CRC Press, 2018. http://dx.doi.org/10.1201/9781351113076.

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H, Zaidi Zafar, Smith David L, and International Symposium on Protein Structure-Function Relationship (4th : 1995 : Karachi, Pakistan), eds. Protein structure--function relationship. Plenum Press, 1996.

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S, Rapaka Rao, Makriyannis Alexandros, and National Institute on Drug Abuse., eds. Structure-activity relationships of the cannabinoids. U.S. Dept. of Health and Human Services, Public Health Service, Alcohol, Drug Abuse, and Mental Health Administration, National Institute on Drug Abuse, 1987.

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Merz, Kenneth M. Drug design: Structure- and ligand-based approaches. Cambridge University Press, 2010.

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International Symposium on Protein Structure-Function Relationship Karachi, Pakistan). Protein structure-function relationship: Proceedings of the International Symposium on Protein Structure Function Relationship, held in Karachi, Pakistan, 8-12 Jan. 1993. Edited by Zaidi Zafar H, Abbasi Atiya, and Smith David L. TWEL Publishers, 1993.

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J, Stezowski John, Huang Jin-Ling, Shao Mei-Cheng, and International Union of Crystallography, eds. Molecular structure: Chemical reactivity and biological activity. Oxford University Press, 1988.

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Boutla, E. Structure and activity relationship in low temperature shift catalysis. UMIST, 1993.

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Conversation in Biomolecular Stereodynamics (5th 1987 State University of New York at Albany). Structure & expression: Proceedings of the Fifth Conversation in the Discipline Biomolecular Stereodynamics held at the State University of New York at Albany, June 2-6, 1987. Adenine Press, 1988.

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Delehedde, Maryse, and Hugues Lortat-Jacob. New developments in therapeutic glycomics. Research Signpost, 2006.

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1941-, Yang Shen K., and Silverman B. D, eds. Polycyclic aromatic hydrocarbon carcinogenesis: Structure-activity relationships. CRC Press, 1988.

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Book chapters on the topic "Structure-activity relationship"

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Dastmalchi, Siavoush, Maryam Hamzeh-Mivehroud, and Babak Sokouti. "QSAR at a Glance." In Quantitative Structure–Activity Relationship. CRC Press, 2018. http://dx.doi.org/10.1201/9781351113076-1.

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Dastmalchi, Siavoush, Maryam Hamzeh-Mivehroud, and Babak Sokouti. "Database and Dataset." In Quantitative Structure–Activity Relationship. CRC Press, 2018. http://dx.doi.org/10.1201/9781351113076-2.

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Dastmalchi, Siavoush, Maryam Hamzeh-Mivehroud, and Babak Sokouti. "Molecular Descriptors." In Quantitative Structure–Activity Relationship. CRC Press, 2018. http://dx.doi.org/10.1201/9781351113076-3.

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Dastmalchi, Siavoush, Maryam Hamzeh-Mivehroud, and Babak Sokouti. "Descriptor Selection." In Quantitative Structure–Activity Relationship. CRC Press, 2018. http://dx.doi.org/10.1201/9781351113076-4.

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Dastmalchi, Siavoush, Maryam Hamzeh-Mivehroud, and Babak Sokouti. "Model Building." In Quantitative Structure–Activity Relationship. CRC Press, 2018. http://dx.doi.org/10.1201/9781351113076-5.

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Dastmalchi, Siavoush, Maryam Hamzeh-Mivehroud, and Babak Sokouti. "Validation of QSAR Models." In Quantitative Structure–Activity Relationship. CRC Press, 2018. http://dx.doi.org/10.1201/9781351113076-6.

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Dastmalchi, Siavoush, Maryam Hamzeh-Mivehroud, and Babak Sokouti. "Practical Example." In Quantitative Structure–Activity Relationship. CRC Press, 2018. http://dx.doi.org/10.1201/9781351113076-7.

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Dastmalchi, Siavoush, Maryam Hamzeh-Mivehroud, and Babak Sokouti. "Concluding Remarks." In Quantitative Structure–Activity Relationship. CRC Press, 2018. http://dx.doi.org/10.1201/9781351113076-8.

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Bajorath, Jürgen. "Quantitative Structure Activity Relationship." In Encyclopedia of Cancer. Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-642-27841-9_4882-2.

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Bajorath, Jürgen. "Quantitative Structure Activity Relationship." In Encyclopedia of Cancer. Springer Berlin Heidelberg, 2017. http://dx.doi.org/10.1007/978-3-662-46875-3_4882.

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Conference papers on the topic "Structure-activity relationship"

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Xue, Z., B. Wan, L. Chen, S. Zhao, and D. Ding. "Structure-activity relationship of LYSO:Ce crystal." In 2024 IEEE Nuclear Science Symposium (NSS), Medical Imaging Conference (MIC) and Room Temperature Semiconductor Detector Conference (RTSD). IEEE, 2024. http://dx.doi.org/10.1109/nss/mic/rtsd57108.2024.10655088.

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Kouznetsov, D. L., O. Yu Podkopaeva, Yu V. Chizhov, G. P. Antroshenko, S. M. Shevchenko, and A. I. Altsybeeva. "Relationship between the Structure and Activity of Volatile Corrosion Inhibitors Derived from Cyclic Amines." In CORROSION 2001. NACE International, 2001. https://doi.org/10.5006/c2001-01192.

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Abstract Products of the condensation reaction between morpholine or cyclohexylamine and benzaldehydes have been used extensively as volatile inhibitors of atmospheric corrosion, as well as components of lubricant compositions, biocides and preservatives in automotive cooling liquids and fuels. In this study, we examined the relationship between the electronic structure and inhibition performance of the compounds in an atmospheric corrosion test. The condensation products have significantly lower vapor pressure than parent amines, resulting in longer residence times of inhibitor species at a m
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Legrand, B., M. Laurencin, C. Zatylny-Gaudin, J. Henry, A. Bondon та M. Baudy Floc'h. "Antimicrobial aza-β3-peptides: Structure-activity relationship?" У Proceedings of the International Conference on Antimicrobial Research (ICAR2010). WORLD SCIENTIFIC, 2011. http://dx.doi.org/10.1142/9789814354868_0002.

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Luo, Huajun, Junzhi Wang, Yuan Zhou, and Kun Zou. "Quantitative Structure-Activity Relationship of Sesquiterpene Lactones with Anti-Ulcerogenic Activity." In 2009 3rd International Conference on Bioinformatics and Biomedical Engineering (iCBBE). IEEE, 2009. http://dx.doi.org/10.1109/icbbe.2009.5163275.

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Rathessan, Aparna Palakkurussi, Suvrat Chowdhary, Johannes Kupke, Marcus Fulde та Beate Koksch. "Structure-Activity Relationship Study of β-Hairpin Peptides with Antibiotic Activity". У 37th European Peptide Symposium. The European Peptide Society, 2024. http://dx.doi.org/10.17952/37eps.2024.p2291.

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Alferova, Vera A., Tinashe P. Maviza, Mikhail V. Biryukov, et al. "Structure–Activity Relationship for Natural Tetracenomycin X Congeners." In The 2nd International Electronic Conference on Antibiotics—Drugs for Superbugs: Antibiotic Discovery, Modes of Action And Mechanisms of Resistance. MDPI, 2022. http://dx.doi.org/10.3390/eca2022-12695.

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Du, Zhenjiao, and Yonghui Li. "Quantitative Structure-activity Relationship Study on Antioxidant Dipeptides." In 2022 AOCS Annual Meeting & Expo. American Oil Chemists' Society (AOCS), 2022. http://dx.doi.org/10.21748/cpyc1755.

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Antioxidative peptides have attracted increasing interest of researchers and consumers. Compared to wet chemistry methods, quantitative structure-activity relationship (QSAR) analysis as a in silicon method can be more efficient and cost effective and has been successfully applied to activity prediction of angiotensin I-converting enzyme inhibitory activity and bitterness of peptides. However, there are only few QSAR studies on antioxidative activity, particularly for dipeptides which have demonstrated ideal absorption ability in intestinal compared to larger peptides. This study aimed to cond
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Zhao, Li-Jiao, Ru-Gang Zhong, and Yan Zhen. "Quantitative Structure-Activity Relationship Analysis of the Anticancer Activity of Chloroethylnitrosourea Derivatives." In 2007 1st International Conference on Bioinformatics and Biomedical Engineering. IEEE, 2007. http://dx.doi.org/10.1109/icbbe.2007.316.

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Davydova, N. K. "«STRUCTURE – ACTIVITY» RELATIONSHIP OF ANTIARRHYTHMIC DRUGS NIBENTAN AND NIFERIDYL." In NOVEL TECHNOLOGIES IN MEDICINE, BIOLOGY, PHARMACOLOGY AND ECOLOGY. Institute of information technology, 2022. http://dx.doi.org/10.47501/978-5-6044060-2-1.123-126.

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Kobayashi, Kazuya, Momoka Kawakita, Takuya Otani, Yasaunao Hattori, and Shinya Oishi. "Structure-activity relationship study on the P4 structure of macrocyclic BACE1 inhibitors." In 37th European Peptide Symposium. The European Peptide Society, 2024. http://dx.doi.org/10.17952/37eps.2024.p1251.

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Reports on the topic "Structure-activity relationship"

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Kim, Yun-mi, Samuel Farrah, and Ronald H. Baney. Structure--Antimicrobial Activity Relationship Comparing a New Class of Antimicrobials, Silanols, to Alcohols and Phenols. Defense Technical Information Center, 2006. http://dx.doi.org/10.21236/ada447843.

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Avery, Mitchell A. Drug Development of the Antimalarial Agent Artemisinin: Total Synthesis, Analog Synthesis, and Structure-Activity Relationship Studies. Defense Technical Information Center, 1990. http://dx.doi.org/10.21236/adb152141.

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Idakwo, Gabriel, Sundar Thangapandian, Joseph Luttrell, Zhaoxian Zhou, Chaoyang Zhang, and Ping Gong. Deep learning-based structure-activity relationship modeling for multi-category toxicity classification : a case study of 10K Tox21 chemicals with high-throughput cell-based androgen receptor bioassay data. Engineer Research and Development Center (U.S.), 2021. http://dx.doi.org/10.21079/11681/41302.

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Deep learning (DL) has attracted the attention of computational toxicologists as it offers a potentially greater power for in silico predictive toxicology than existing shallow learning algorithms. However, contradicting reports have been documented. To further explore the advantages of DL over shallow learning, we conducted this case study using two cell-based androgen receptor (AR) activity datasets with 10K chemicals generated from the Tox21 program. A nested double-loop cross-validation approach was adopted along with a stratified sampling strategy for partitioning chemicals of multiple AR
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BARKHATOV, NIKOLAY, and SERGEY REVUNOV. A software-computational neural network tool for predicting the electromagnetic state of the polar magnetosphere, taking into account the process that simulates its slow loading by the kinetic energy of the solar wind. SIB-Expertise, 2021. http://dx.doi.org/10.12731/er0519.07122021.

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The auroral activity indices AU, AL, AE, introduced into geophysics at the beginning of the space era, although they have certain drawbacks, are still widely used to monitor geomagnetic activity at high latitudes. The AU index reflects the intensity of the eastern electric jet, while the AL index is determined by the intensity of the western electric jet. There are many regression relationships linking the indices of magnetic activity with a wide range of phenomena observed in the Earth's magnetosphere and atmosphere. These relationships determine the importance of monitoring and predicting ge
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Ruangpornvisuti, Vithaya. A Study of conformational equilibrium of semicarbazone derivatives and their complexes with cations : research report. Chulalongkorn University, 2006. https://doi.org/10.58837/chula.res.2006.36.

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The structure optimizations of picolinaldehyde N-oxide thiosemicarbazone (Hpiotsc), 2-benzoylpyridine semicarbazone (H2BzPS), their imino tautomers and their complexes with Ni(II), Cu(II) and Zn(II) were carried out using DFT calculations at the B3LYP/LANL2DZ level of theory. Thermodynamic properties of tautomerizations of Hpiotsc and H2BzPS and complexations of their complexes derived from the frequency calculations at the same level were obtained. The B3LYP/LANL2DZ-optimized geometry parameters for the complexes of [[Ni(Hpiotsc)[subscript 2]][superscript 2+]], [Cu(Hpiotsc).Cl[subscript 2]] a
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Boyarchenko, Nina, and Leonardo Elias. Financing Private Credit. Federal Reserve Bank of New York, 2024. http://dx.doi.org/10.59576/sr.1111.

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Using data on balance sheets of both financial and nonfinancial sectors of the economy, we use a “demand system” approach to study how lender composition and willingness to provide credit affect the relationship between credit expansions and real activity. A key advantage of jointly modeling the demand for and supply of credit is the ability to evaluate equilibrium elasticities of credit quantities with respect to variables of interest. We document that the sectoral composition of lenders financing a credit expansion is a key determinant for subsequent real activity and crisis probability. We
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Spiers, Donald, Arieh Gertler, Harold Johnson, and James Spain. An In Vitro and In Vivo Investigation of the Diverse Biological Activities of Bovine Placental Lactogen. United States Department of Agriculture, 1993. http://dx.doi.org/10.32747/1993.7568087.bard.

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In order to understand the structure-function relationship of bovine placental lactogen (bPL) and initiate production of material for in vivo testing, 28 different bPL analogues were prepared by either truncation or site-directed mutagenesis. The effect of these mutations was determined by measuring binding capacity, ability to homodimerize extracellular domains (ECDs) of several lactogenic and somatogenic receptors, and by in vitro bioassays. Two analogues were prepared in large amounts for in vivo studies. These studies (a) identified the residues responsible for the somatogenic activity of
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Turner, J. E. (Quantitative structure-activity relationships in environmental toxicology). Office of Scientific and Technical Information (OSTI), 1990. http://dx.doi.org/10.2172/6613721.

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Long, J. P., R. K. Bhatnagar, and J. G. Cannon. Structure-Activity Relationships of Agents Modifying Cholinergic Transmission. Defense Technical Information Center, 1988. http://dx.doi.org/10.21236/ada197120.

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Chambers, Janice E. Structure-Activity Relationships of Chlorinated Alicyclic Compounds in Catfish. Defense Technical Information Center, 1993. http://dx.doi.org/10.21236/ada280927.

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