Relevant bibliographies by topics / Computer assisted structure elucidation

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers

Academic literature on the topic 'Computer assisted structure elucidation'

Author: Grafiati
Published: 4 June 2021
Last updated: 2 February 2022

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Journal articles on the topic "Computer assisted structure elucidation"

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Gray, Neil A. B., and Albert Platt. "Computer assisted structure elucidation." Analytica Chimica Acta 201 (1987): 367. http://dx.doi.org/10.1016/s0003-2670(00)85366-0.

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Warr, Wendy A. "COMPUTER-ASSISTED STRUCTURE ELUCIDATION." Analytical Chemistry 65, no. 24 (1993): 1087A—1095A. http://dx.doi.org/10.1021/ac00072a728.

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Richards, W. G. "Computer-assisted structure elucidation." Endeavour 11, no. 2 (1987): 107–8. http://dx.doi.org/10.1016/0160-9327(87)90262-6.

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DeTar, DeLosF. "Computer-Assisted Structure Elucidation." Computers & Chemistry 11, no. 3 (1987): 228. http://dx.doi.org/10.1016/0097-8485(87)80024-4.

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Elyashberg, Mikhail, Kirill Blinov, Sergey Molodtsov, and Antony Williams. "Elucidating ‘undecipherable’ chemical structures using computer-assisted structure elucidation approaches." Magnetic Resonance in Chemistry 50, no. 1 (2012): 22–27. http://dx.doi.org/10.1002/mrc.2849.

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CHEN, L., and M. ZHANG. "ChemInform Abstract: Computer-Assisted Structure Elucidation." ChemInform 23, no. 38 (2010): no. http://dx.doi.org/10.1002/chin.199238333.

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FUNATSU, Kimito. "Computer-Assisted Structure Elucidation for Organic Compound." Journal of Synthetic Organic Chemistry, Japan 51, no. 6 (1993): 516–28. http://dx.doi.org/10.5059/yukigoseikyokaishi.51.516.

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Elyashberg, M. E., A. J. Williams, and G. E. Martin. "Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation." Progress in Nuclear Magnetic Resonance Spectroscopy 53, no. 1-2 (2008): 1–104. http://dx.doi.org/10.1016/j.pnmrs.2007.04.003.

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Burns, Darcy C., Eugene P. Mazzola, and William F. Reynolds. "The role of computer-assisted structure elucidation (CASE) programs in the structure elucidation of complex natural products." Natural Product Reports 36, no. 6 (2019): 919–33. http://dx.doi.org/10.1039/c9np00007k.

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Lipkus, Alan H., and Morton E. Munk. "Automated classification of candidate structures for computer-assisted structure elucidation." Journal of Chemical Information and Modeling 28, no. 1 (1988): 9–18. http://dx.doi.org/10.1021/ci00057a002.

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Dissertations / Theses on the topic "Computer assisted structure elucidation"

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Han, Yongquan. "Evolutionary algorithm as an approach for computer assisted structure elucidation of organic and bioorganic compounds /." Jena, 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=979511941.

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Lundborg, Magnus. "Computer-Assisted Carbohydrate Structural Studies and Drug Discovery." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-56411.

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Carbohydrates are abundant in nature and have functions ranging from energy storage to acting as structural components. Analysis of carbohydrate structures is important and can be used for, for instance, clinical diagnosis of diseases as well as in bacterial studies. The complexity of glycans makes it difficult to determine their structures. NMR spectroscopy is an advanced method that can be used to examine carbohydrates at the atomic level, but full assignments of the signals require much work. Reliable automation of this process would be of great help. Herein studies of Escherichia coli O-an
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Ståhle, Jonas. "Structure Elucidations of Bacterial Polysaccharides using NMR Spectroscopy and Bioinformatics." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-146867.

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Carbohydrates are ubiquitous components in nature involved in a range of tasks. They cover every cell and contribute both structural stability as well as identity. Lipopolysaccharides are the outermost exposed part of the bacterial cell wall and the primary target for host-pathogen recognition. Understanding the structure and biosynthesis of these polysaccharides is crucial to combat disease and develop new medicine. Structural determinations can be carried out using NMR spectroscopy, a powerful tool giving information on an atomistic scale. This thesis is focused on method development to stud
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Plainchont, Bertrand. "Analyse structurale automatique des petites molécules organiques." Thesis, Reims, 2012. http://www.theses.fr/2012REIMS036/document.

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Ce mémoire traite du développement d'outils informatiques d'aide à l'analyse structurale des petites molécules organiques par Résonance Magnétique Nucléaire (RMN). Il comprend deux volets axés sur l'automatisation de tâches auxquelles les chimistes des laboratoires de synthèse organique ou d'isolement de substances naturelles sont confrontés au quotidien, à savoir l'élucidation et la vérification de structure. Le premier volet concerne des améliorations apportées au logiciel de génération de structure LSD (Logic for Structure Determination). Ce logiciel est basé sur l'interprétation des corrél
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Bellows, B. P. "Group size, group structure and student interaction in children's computer learning." Diss., Virginia Polytechnic Institute and State University, 1986. http://hdl.handle.net/10919/49981.

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The achievement of students who participated in a computer-assisted instruction unit on social studies directionality skills was examined in relation to group size. Also analyzed were students’ interaction in small groups and the structure of those groups. Sixty-six second-grade students in solo, pair, or triad treatment conditions were given a pretest and equivalent-form posttest. The computer task concerned cardinal and intermediate directions, which students applied in a computer tictactoe game. Interaction among the students was recorded by audiotape and observer notes. The coding protoc
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Santos, Marcio Peixoto de Sequeira. "The use of models of system structure for computer assisted analysis of transport policy." Thesis, Imperial College London, 1988. http://hdl.handle.net/10044/1/47244.

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Liang, Lanfang. "Investigation of Secondary Metabolites of North Sea Bacteria: Fermentation, Isolation, Structure Elucidation and Bioactivity." Doctoral thesis, [S.l. : s.n.], 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=96850728X.

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Svensson, Niclas. "Structure from Motion with Unstructured RGBD Data." Thesis, KTH, Skolan för elektroteknik och datavetenskap (EECS), 2021. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-302553.

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This thesis covers the topic of depth- assisted Structure from Motion (SfM). When performing classic SfM, the goal is to reconstruct a 3D scene using only a set of unstructured RGB images. What is attempted to be achieved in this thesis is adding the depth dimension to the problem formulation, and consequently create a system that can receive a set of RGBD images. The problem has been addressed by modifying an already existing SfM pipeline and in particular, its Bundle Adjustment (BA) process. Comparisons between the modified framework and the baseline framework resulted in conclusions regardi
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Stander, Alison Gretchen. "An investigation into the validity of mobile technologies as a support structure for first year students studying German as a foreign language in a South African context." Thesis, Stellenbosch : University of Stellenbosch, 2011. http://hdl.handle.net/10019.1/6543.

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Thesis (MPhil (Modern Foreign Languages. Hypermedia for Language Learning))--University of Stellenbosch, 2011<br>ENGLISH ABSTRACT: The high penetration rate of mobile devices all over the world, and especially in South Africa, has significantly increased the relevance of Mobile Assisted Language Learning (MALL). The objective of this study is to ascertain the viability of incorporating MALL technology to enhance the language learning experience of South African university students who are studying a foreign language. The students enrolled for the beginners’ German course at Stellenbosch
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Schuhmann, Imelda. "Aufbau einer HPLC-UV-ESI-MS-MS-Datenbank und ihre Anwendung im Screening arktischer und antarktischer Meeresbakterien." Doctoral thesis, [S.l.] : [s.n.], 2005. http://deposit.ddb.de/cgi-bin/dokserv?idn=977037568.

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Books on the topic "Computer assisted structure elucidation"

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Computer-assisted structure elucidation. Wiley, 1986.

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Mikhail, Elyashberg, Blinov Kirill, and Royal Society of Chemistry (Great Britain), eds. Contemporary computer assisted approaches to molecular structure elucidation. Royal Society of Chemistry, 2011.

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Elyashberg, Mikhail E., and Antony J. Williams. Computer–Based Structure Elucidation from Spectral Data. Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-662-46402-1.

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Babu, Venkataraghavan, Feldmann Richard J, and New York Academy of Sciences., eds. Macromolecular structure and specificity: Computer-assisted modeling and applications. New York Academy of Sciences, 1985.

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Beazley, Susan L. Monitoring changes in agriculture using computer-assisted cartography: Farm structure. Rural Research Centre, Nova Scotia Agricultural College, 1996.

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1964-, Williams Anthony J., ed. Practical interpretation of P-31 NMR spectra and computer-assisted structure verification. Advanced Chemistry Development, 2004.

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Clough, Anne V. Medical imaging 2008: Physiology, function, and structure from medical images : 17-19 February 2008, San Diego, California, USA. Edited by Society of Photo-optical Instrumentation Engineers and American Association of Physicists in Medicine. SPIE, 2008.

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Robert, Rein, and Golombek Amram, eds. Computer-assisted modeling of receptor-ligand interactions: Theoretical aspects and applications to drug design : proceedings of the 1988 OHOLO Conference held in Eilat, Israel, April 24-28, 1988. Liss, 1989.

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Teachers and texts: A political economy of class and gender relations in education. Routledge & Kegan Paul, 1986.

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Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation. Royal Society of Chemistry, 2011. http://dx.doi.org/10.1039/9781849734578.

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Book chapters on the topic "Computer assisted structure elucidation"

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Steinbeck, Christoph. "Computer-Assisted Structure Elucidation." In Handbook of Chemoinformatics. Wiley-VCH Verlag GmbH, 2008. http://dx.doi.org/10.1002/9783527618279.ch43a.

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Aires de Sousa, Joao. "Structure-Spectrum Correlations and Computer-Assisted Structure Elucidation." In Applied Chemoinformatics. Wiley-VCH Verlag GmbH & Co. KGaA, 2018. http://dx.doi.org/10.1002/9783527806539.ch5.

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Woodruff, Hugh B., Sterling A. Tomellini, and Graham M. Smith. "Elucidation of Structural Fragments by Computer-Assisted Interpretation of IR Spectra." In ACS Symposium Series. American Chemical Society, 1986. http://dx.doi.org/10.1021/bk-1986-0306.ch024.

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Elyashberg, M. E., Antony J. Williams, and K. A. Blinov. "Chapter 9. Application of Computer-assisted Structure Elucidation (CASE) Methods and NMR Prediction to Natural Products." In Modern NMR Approaches to the Structure Elucidation of Natural Products : Instrumentation and Software. Royal Society of Chemistry, 2015. http://dx.doi.org/10.1039/9781849735186-00187.

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Levit, Anat, Dov Barak, Maik Behrens, Wolfgang Meyerhof, and Masha Y. Niv. "Homology Model-Assisted Elucidation of Binding Sites in GPCRs." In Membrane Protein Structure and Dynamics. Humana Press, 2012. http://dx.doi.org/10.1007/978-1-62703-023-6_11.

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Naef, R. "Computer-assisted dyestuff design and synthesis." In Modern Colorants: Synthesis and Structure. Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-1356-4_8.

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Schymanski, Emma, Tobias Schulze, Jos Hermans, and Werner Brack. "Computer Tools for Structure Elucidation in Effect-Directed Analysis." In The Handbook of Environmental Chemistry. Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-18384-3_8.

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Glüer, Claus-C., Kenneth G. Faulkner, Stephan Grampp, Peter Steiger, and Harry K. Genant. "Assessment of Bone Structure by Quantitative Computed Tomography." In Computer Assisted Radiology / Computergestützte Radiologie. Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-662-00807-2_38.

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Bahner, M., J. Dick, B. Kardatzki, H. Ruder, M. Schmidt, and A. Steitz. "Reconstruction of the 3D Structure of Cerebral Vessel Trees from few DSA Projections." In Computer Assisted Radiology / Computergestützte Radiologie. Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-642-49351-5_90.

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Rhodes, Michael L., Yu Ming Azzawi, Eva S. Chu, Alex T. Pang, William V. Glenn, and Stephen L. G. Rothman. "A Network Solution for Structure Models and Custom Prostheses Manufacturing from CT Data." In Computer Assisted Radiology / Computergestützte Radiologie. Springer Berlin Heidelberg, 1985. http://dx.doi.org/10.1007/978-3-642-52247-5_63.

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Conference papers on the topic "Computer assisted structure elucidation"

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Neudert, Reinhard. "Computer-assisted structure elucidation based on spectroscopy." In The first European conference on computational chemistry (E.C.C.C.1). AIP, 1995. http://dx.doi.org/10.1063/1.47780.

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Dziwornu, GA, NR Toorabally, MG Bhowon, et al. "Computer Assisted Structure Elucidation of Two Biflavonoids from the Leaves of Ochna Mauritiana." In GA 2017 – Book of Abstracts. Georg Thieme Verlag KG, 2017. http://dx.doi.org/10.1055/s-0037-1608237.

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"Computer-assisted analysis of caspases molecular evolution." In Bioinformatics of Genome Regulation and Structure/ Systems Biology. institute of cytology and genetics siberian branch of the russian academy of science, Novosibirsk State University, 2020. http://dx.doi.org/10.18699/bgrs/sb-2020-370.

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"Computer-assisted analysis of caspases molecular evolution." In Bioinformatics of Genome Regulation and Structure/ Systems Biology. institute of cytology and genetics siberian branch of the russian academy of science, Novosibirsk State University, 2020. http://dx.doi.org/10.18699/bgrs/sb-2020-095.

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Arnold, Teryl, and Bryan S. Morse. "Interactive Image Repair with Assisted Structure and Texture Completion." In 2007 IEEE Workshop on Applications of Computer Vision. IEEE, 2007. http://dx.doi.org/10.1109/wacv.2007.38.

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Mitzel, Dennis, and Bastian Leibe. "Real-time multi-person tracking with detector assisted structure propagation." In 2011 IEEE International Conference on Computer Vision Workshops (ICCV Workshops). IEEE, 2011. http://dx.doi.org/10.1109/iccvw.2011.6130357.

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Wang, Feng, Dan Wang, and Jiangchuan Liu. "EleSense: Elevator-assisted wireless sensor data collection for high-rise structure monitoring." In IEEE INFOCOM 2012 - IEEE Conference on Computer Communications. IEEE, 2012. http://dx.doi.org/10.1109/infcom.2012.6195534.

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Alrawashdeh, Khaled, and Carla Purdy. "Fast hardware assisted online learning using unsupervised deep learning structure for anomaly detection." In 2018 International Conference on Information and Computer Technologies (ICICT). IEEE, 2018. http://dx.doi.org/10.1109/infoct.2018.8356855.

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Yahaya, Bakri, Rohaya Latip, Azizul Abdullah, and Mohamed Othman. "Medical Data Simulation with Self-Adaptive Multi-instance Broker in Hierarchical Cluster Grid Structure." In 2014 International Conference on Computer Assisted System in Health (CASH). IEEE, 2014. http://dx.doi.org/10.1109/cash.2014.24.

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El-Sayed, Y. M., and Michel A. Saad. "Computer-Assisted Optimal Design of Energy Systems." In ASME 1991 International Computers in Engineering Conference and Exposition. American Society of Mechanical Engineers, 1991. http://dx.doi.org/10.1115/cie1991-0079.

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Abstract Numerical methods are used to model, predict and optimize energy systems in which thermodynamic analysis is coupled with design and economic evaluation. Two examples, in which the cost objective functions are assumed, are presented. The first example is a regenerative gas-turbine cycle in which several thermodynamic and design decision parameters are optimized for the given structure are considered. The second is a steam bottoming cycle, in which structural as well as parametric changes are introduced. Structural changes assume generating steam at several pressures and parametric chan
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