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Computational Chemistry: From the Hydrogen Molecule to Nanostructures Read chapter Read first chapter

2017 | OriginalPaper | Chapter

58. Quantitative Structure–Activity Relationships of Antimicrobial Compounds

Authors : F. P. Maguna, N. B. Okulik, Eduardo A. Castro

Published in: Handbook of Computational Chemistry

Publisher: Springer International Publishing

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Abstract

A thorough antimicrobial review of an increasing number of reports reveals a broad spectrum of research activity in the development practices that are used to treat a variety of diseases. The quantitative relationship between chemical structure and biological activity has received considerable attention in recent years because it allows one to predict theoretically bioactivity without an inordinate amount of experimental time and effort. In this chapter we collect and discuss critically published results concerning the QSAR research on antimicrobial compounds. Finally, we present an updated perspective about the future trends in this area.

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previous chapter Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
Literature
Ahluwalia, V. K., Kaila, N., & Bala, S. (1986). Indian Journal of Chemistry Section B, 25, 663.
Ahmed, S. P., Ahmad, M., Kazmi, S. U., Shahid, M., & Ahmed, S. I. (1995). Studies on the antibacterial and HPFC activity of a phenylpropanoid glycoside. Pakistan Journal of Pharmacology, 12(2), 31.
Al-Haiza, M. A., Mostafa, M. S., & El-Kady, M. Y. (2003). Synthesis and biological evaluation of some new coumarin derivatives. Molecules, 8, 275.CrossRef
Althaus, I. W., Dolak, L., & Reusser, F. (1988). Coumarins as inhibitors of bacterial DNA gyrase. The Journal of Antibiotics, 41, 373.CrossRef
Amschler, G., Frahm, A. W., Hatzelmann, A., Kilian, U., Muller-Doblies, D., & Muller-Doblies, U. (1996). Spirocyclic nortriterpenes from the bulbs of Veltheimia viridifolia. Planta Medica, 62, 534.CrossRef
Bajorath, J. (2002). Integration of virtual and high-throughput screening. Nature Reviews Drug Discovery, 1, 882.CrossRef
Christine, S. V., Rohan, K. G., & Ian, B. R. (1984). The effect of food preservatives on pH homeostasis in Escherichia coli. Journal of General Microbiology, 130, 2845.
Cragg, G. M., & Newman, D. J. (2001). Natural product drug discovery in the next millennium. Pharmaceutical Biology, 39, 8.
Cragg, G. M., Newman, D. J., & Snader, K. M. (1997). Natural products in drug discovery and development. Journal of Natural Products, 60, 52.CrossRef
Cremlyn, R. J., Thandi, K., & Wilson, R. (1984). Indian Journal of Chemistry Section B, 23, 94.
Cremlyn, R. J., Obioran, O., & Singh, G. (1986). Indian Journal of Chemistry Section B, 25, 559.
Cruz-Monteagudo, M., González-Díaz, H., Agüero-Chapin, G., Santana, L., Borges, F., Domínguez, R. E., Podda, G., & Uriarte, E. (2007). Computational chemistry development of a unified free energy Markov model for the distribution of 1,300 chemicals to 38 different environmental or biological systems. Journal of Computational Chemistry, 28, 1909.CrossRef
Cruz-Monteagudo, M., Borges, F., Cordeiro, M. N., Cagide Fajin, J. L., Morell, C., & Ruiz, R. M. (2008a). Desirability-based methods of multiobjective optimization and ranking for global QSAR studies. Filtering safe and potent drug candidates from combinatorial libraries. Journal of Combinatorial Chemistry, 10, 897.CrossRef
Cruz-Monteagudo, M., Borges, F., & Cordeiro, M. N. (2008b). Desirability-based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles. Journal of Computational Chemistry, 29, 2445.CrossRef
Debeljak, Ž., Sÿkrbo, A., Jasprica, I., Mornar, A., Plecko, V., Banjanac, M., & Medic-Šaric, M. (2007). QSAR study of antimicrobial activity of some 3-Nitrocoumarins and related compounds. Journal of Chemical Information and Modeling, 7, 918.CrossRef
Dekić, B., Dekić, V., Radulović, N., Vukićević, R., & Palić, R. (2010). Synthesis of new antimicrobial 4-aminosubstituted 3-nitrocoumarins. Chemical Papers, 64(3), 354–359.
Della Loggia, R., Del Negro, P., Tubaro, A., Barone, G., & Parrilli, M. (1989). Homoisoflava-nones as anti-inflammatory principles. Planta Medica, 55, 587.CrossRef
Demain, A. L. (1999). Metabolites, primary and secondary. In M. C. Flickinger & S. C. Drew (Eds.), Encyclopedia of bioprocess technology: Fermentation. New York: Wiley.
Du Toit, K., Elgorashi, E. E., Malan, S. F., Mulholland, D. A., Drewes, S. E., & Van Staden, J. (2007). Antibacterial activity and QSAR of homoisoflavanones isolated from six Hyacinthaceae species. South African Journal of Botany, 73, 236.CrossRef
Dudek, A. Z., Arodzb, T., & Gálvez, J. (2006). Computational methods in developing quantitative structure-activity relationships (QSAR): A review. Combinatorial Chemistry & High Throughput Screening, 9, 213.CrossRef
Estrada, E., & Molina, E. (2001). 3D connectivity indices in QSPR/QSAR studies. Journal of Chemical Information and Computer Sciences, 41, 791.CrossRef
Galm, U., Dessoy, M. A., Schmidt, J., Wessjohann, L. A., & Heide, L. (2004). In vitro and in vivo production of new aminocoumarins by a combined biochemical, genetic and synthetic approach. Chemistry & Biology, 11, 173.CrossRef
Giertsen, E. (2004). Effects of mouthrinses with triclosan, zinc ions, copolymer, and sodium lauryl sulphate combined with fluoride on acid formation by dental plaque in vivo. Caries Research, 38, 430.CrossRef
González, M. P., Morales, A. H., & González-Díaz, H. (2004). A TOPS-MODE approach to predict permeability coefficients. Polymer, 45, 2073.CrossRef
González-Díaz, H., & Prado-Prado, F. (2008). Unified QSAR and network-based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals. Journal of Computational Chemistry, 29, 656.CrossRef
González-Díaz, H., & Uriarte, E. (2005). Proteins QSAR with Markov average electrostatic potentials. Bioorganic & Medicinal Chemistry Letters, 15, 5088.CrossRef
González-Díaz, H., Gia, O., Uriarte, E., Hernández, I., Ramos, R., & Chaviano, M. (2003). Markovian chemicals “in silico” design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: Discovery of anticancer compounds. Journal of Molecular Modeling, 9, 395.CrossRef
González-Díaz, H., Molina, R., & Uriarte, E. (2004). Markov entropy backbone electrostatic descriptors for predicting proteins biological activity. Bioorganic & Medicinal Chemistry Letters, 14, 4691.CrossRef
González-Díaz, H., Aguero, G., Cabrera, M. A., Molina, R., Santana, L., Uriarte, E., Delogu, G., & Castañedo, N. (2005). Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species: Distribution of the antimicrobial G1 on rat tissues. Bioorganic & Medicinal Chemistry Letters,15, 551.CrossRef
González-Díaz, H., Perez-Bello, A., Uriarte, E., & González-Díaz, Y. (2006a). QSAR study for mycobacterial promoters with low sequence homology. Bioorganic & Medicinal Chemistry Letters, 16, 547.CrossRef
González-Díaz, H., Prado-Prado, F. J., Santana, L., & Uriarte, E. (2006b). Unify QSAR approach to antimicrobials. Part 1: Predicting antifungal activity against different species. Bioorganic & Medicinal Chemistry, 14, 5973.CrossRef
González-Díaz, H., Sanchez-Gonzalez, A., & González-Díaz, Y. (2006c). 3D-QSAR study for DNA cleavage proteins with a potential anti-tumor ATCUN-like motif. Journal of Inorganic Biochemistry, 100, 1290.CrossRef
González-Díaz, H., Molina-Ruiz, V., & Hernández, I. (2007a). MARCH-INSIDE v3.0 (MARkov CHains INvariants for SImulation & DEsign), Cuba.
González-Díaz, H., Saiz-Urra, L., Molina, R., Santana, L., & Uriarte, E. (2007a). A model for the recognition of protein kinases based on the entropy of 3D van der Waals interactions. Journal of Proteome Research, 6, 904.CrossRef
González-Díaz, H., Vilar, S., Santana, L., & Uriarte, E. (2007b). Medicinal chemistry and bioinformatics–current trends in drugs discovery with networks topological indices. Current Topics in Medicinal Chemistry, 7, 1015.CrossRef
González-Díaz, H., González-Díaz, Y., Santana, L., Ubeira, F. M., & Uriarte, E. (2008a). Proteomics, networks and connectivity indices. Proteomics, 8, 750.CrossRef
González-Díaz, H., Prado-Prado, F., & Ubeira, F. M. (2008b). Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach. Current Topics in Medicinal Chemistry, 8, 1676.CrossRef
González-Díaz, H., Vilar, S., & Pérez-Montoto, L. G. (2011). 6. Predicting parasite-host networks with Markov Entropy measures for secondary structures of RNA phylogenetic biomarkers. In H. González-Díaz, F. J. Prado-Prado, & X. García-Mera (Eds.), Complex network entropy: From molecules to biology, parasitology, technology, social, legal, and neurosciences. Kerala: Transworld Research Network.
Greenberg, M., Urnezis, P., & Tian, M. (2007). Compressed mints and chewing gum containing magnolia bark are effective against bacteria that are response for oral malodor. Journal of Agricultural and Food Chemistry, 55, 9465.CrossRef
Greenberg, M., Dodds, M., & Tian, M. (2008). Naturally occurring phenolic antibacterial compounds show effectiveness against oral bacteria by a quantitative structure-activity relationship study. Journal of Agricultural and Food Chemistry, 56, 11151.CrossRef
Greenstein, R. B.-N., Goldberg, S., Marku-Cohen, S., Sterer, N., & Rosenberg, M. (1997). Reduction of oral malodor by oxidizing lozenges. Journal of Periodontology, 68, 1176.CrossRef
Hall, B. G. (2004). Predicting the evolution of antibiotic resistance genes. Nature Reviews Microbiology, 2, 430.CrossRef
Hansch, C., & Fujita, T. (1964). ρ-σ-π analysis. A method for the correlation of biological activity and chemical structure. Journal of the American Chemical Society, 86, 1616.CrossRef
Hayashi, Y., Ohara, N., Ganno, T., Yamaguchi, K., Ishizaki, T., Nakamura, T., & Sato, M. (2007). Chewing chitosan-containing gum effectively inhibits the growth of cariogenic bacteria. Archives of Oral Biology, 52, 290.CrossRef
Heinrich, M., Barnes, J., Gibbons, S., & Williamson, E. M. (2004). Fundamentals of pharmacognosy and phytotherapy. Edinburgh: Churchill Livingstone.
Heller, W., & Tamm, C. (1981). Homoisoflavanones and biogenetically related compounds. Fortschritte der Chemie Organischer Naturstoffe, 40, 106.
Hodgson, J. (2001). ADMET-turning chemicals into drugs. Nature Biotechnology, 19, 722.CrossRef
Hofnung, M., Quillardet, V. M., & Touati, E. (2002). Genotoxicity of 2-nitro-7-methoxy-naphtho[2,1-b]furan (R7000): A case study with some considerations on nitrofurantoin and nifuroxazide. Research in Microbiology, 153, 427.CrossRef
Hoult, J. R. S., & Paya, M. (1996). Pharmacological and biochemical actions of simple coumarins: Natural products with therapeutic potential. General Pharmacology,27, 713.CrossRef
INIFTA, Divisin Qumica Terica, Departamento de Química, Facultad de Ciencias Exactas, UNLP Diag. 113 y 64, Suc. 4, C.C. 16, 1900 La Plata.
Itaru, S., Seizo, M., & Takashi, K. (1973). Japan Patent, 73, 37, p. 819.
Khan, M. W., Alam, M. J., Rashid, M. A., & Chowdhury, R. (2005). A new structural alternative in benzo[b]furans for antimicrobial activity. Bioorganic & Medicinal Chemistry, 13, 4796.CrossRef
Kubinyi, H. J. (1990). Quantitative structure-activity relationships (QSAR) and molecular modeling in cancer research. Journal of Cancer Research and Clinical Oncology, 116, 529.CrossRef
Kulkarni, M. V., & Patil, V. D. (1981). Studies on coumarins I. Archives of Pharmacology, 314, 708.CrossRef
Kulkarni, M. V., & Patil, V. D. (1983). Studies on coumarins II. Archives of Pharmacology, 316, 15.CrossRef
Kumar, A., Narasimhanb, B., & Kumar, D. (2007). Synthesis, antimicrobial, and QSAR studies of substituted benzamides. Bioorganic & Medicinal Chemistry, 15, 4113.CrossRef
Kupchan, S. M., Eakin, M. A., & Thomas, A. M. (1971). Tumor inhibitors. 69. Structure-cytotoxicity relationships among the sesquiterpene lactones. Journal of Medicinal Chemistry, 111, 1147.CrossRef
Lambert, R. J. W., & Pearson, J. (2000). Susceptibility testing: Accurate and reproducible minimum inhibitory concentration (MIC) and non-inhibitory concentration (NIC) values. Journal of Applied Microbiology, 88, 784.CrossRef
Laurin, P., Ferroud, D., Klich, M., Dupuis-Hamelin, C., Mauvais, P., Lassaigne, P., Bonnefoy, A., & Musicki, B. (1999). Synthesis and in vitro evaluation of novel highly potent coumarin inhibitors of gyrase B. Bioorganic & Medicinal Chemistry Letters, 9, 2079.CrossRef
Lee, H. S., & Ahn, Y. J. (1998). Growth-inhibiting effects of Cinnamomum cassia bark-derived materials on human intestinal bacteria. Journal of Agricultural and Food Chemistry, 46, 8.CrossRef
Lerner, S. A. (1998). Clinical impact of antibiotic resistance. In B. P. Rosen & S. Mobashery (Eds.), Resolving the antibiotic paradox. Progress in understanding drug resistance and development of new antibiotics. New York: Plenum Publishers.
Lewis, R. A. (2005). A general method for exploiting QSAR models in lead optimization. Journal of Medicinal Chemistry, 48, 1638.CrossRef
Loesche, W. (1979). Clinical and microbiological aspects of chemotherapeutic agents used according to specific plaque hypothesis. Journal of Dental Research, 58, 2404.CrossRef
Mares, D. (1987). Antimicrobial activity of protoanemonin, a lactone from Ranunculaceous Plants. Mycopathologia, 98, 133.CrossRef
Marrero-Ponce, Y., Díaz, H. G., Zaldívar, F., Torrens, V. R., & Castro, E. A. (2004). 3D-Chiral quadratic indices of the “molecular pseudograph’s atom adjacency matrix” and their application to central chirality codification: Classification of ACE inhibitors and prediction of σ-receptor antagonist activities. Bioorganic & Medicinal Chemistry, 12, 5331.CrossRef
Marrero-Ponce, Y., Marrero, R. M., Torrens, F., Martínez, Y., Bernal, M. G., & Zaldívar, V. R. (2005). Non-stochastic and stochastic linear indices of the molecular pseudograph’s atom-adjacency matrix: A novel approach for computational in silico screening and “rational” selection of new lead antibacterial agents. Journal of Molecular Modeling, 12(3), 255–271, (Online), 1.CrossRef
Mcdermott, P. F., Walker, R. D., & White, D. G. (2003). Antimicrobials: Modes of action and mechanisms of resistance. International Journal of Toxicology, 22(2), 135.CrossRef
Molina, E., González-Díaz, H., González, M. P., Rodríguez, E., & Uriarte, E. (2004). Designing antibacterial compounds through a topological substructural approach. Journal of Chemical Information and Computer Science, 44, 515.CrossRef
Mrozik, H., Jones, H., Frieddman, J., Schwartzkopf, G., Schardt, R. A., Patchett, A. A., Hoff, D. R., Yaktis, J. J., Riek, R. F., Ostlind, D. A., Plishker, G. A., Butler, R. W., Cuckler, A. C., & Campbell, W. C. (1969). A new agent for the treatment of liver fluke infection (fascioliasis). Experentia, 25, 883.CrossRef
Narasimhan, B., Kothawade, U. R., Pharande, D. S., Mourya, V. K., & Dhake, A. S. (2003). Syntheses and QSAR studies of sorbic, cinnamic and ricinoleic acid derivatives as potential antibacterial agents. Indian Journal of Chemistry, 42(B), 2828.
Narasimhan, B., Belsare, D., Pharande, D., Mourya, V., & Dhake, A. (2004). Esters, amides and substituted derivatives of cinnamic acid: Synthesis, antimicrobial activity and QSAR investigations. European Journal of Medicinal Chemistry, 39, 827.CrossRef
Ovale, J. M., Landman, D., Zaman, M. M., Burney, S., & Sathe, S. S. (1996). In vitro activity of Cinnamomum zeylanicum. American Journal of Chinese Medicine, 24, 103.CrossRef
Pohl, T. S., Crouch, N. R., & Mulholland, D. A. (2000). Southern African Hyacinthaceae: Chemistry, bioactivity and ethnobotany. Current Organic Chemistry, 4, 1287.CrossRef
Prado-Prado, F. J., González-Díaz, H., Santana, L., & Uriarte, E. (2007). Unified QSAR approach to antimicrobials. Part 2: Predicting activity against more than 90 different species in order to halt antibacterial resistance. Bioorganic & Medicinal Chemistry, 15, 897.CrossRef
Prado-Prado, F. J., González-Díaz, H., de la Vega, O. M., Ubeira, F. M., & Chou, K. C. (2008). Unified QSAR approach to antimicrobials. Part 3: First multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds. Bioorganic & Medicinal Chemistry, 16, 5871.CrossRef
Prado-Prado, F. J., Borges, F., Perez-Montoto, L. G., & González-Díaz, H. (2009a). Multi-target spectral moment: QSAR for antifungal drugs vs. different fungi species. European Journal of Medicinal Chemistry, 44, 4051.CrossRef
Prado-Prado, F. J., de la Vega, O. M., Uriarte, E., Ubeira, F. M., Chou, K. C., & González-Díaz, H. (2009b). Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks. Bioorganic & Medicinal Chemistry, 17, 569.CrossRef
Ramanan, P. N., & Rao, M. N. (1987). Antimicrobial activity of cinnamic acid derivatives. Indian Journal of Experimental Biology, 25, 42.
Ramos de Armas, R., González-Díaz, H., Molina, R., Pérez González, M., & Uriarte, E. (2004). Stochastic-based descriptors studying peptides biological properties: modeling the bitter tasting threshold of dipeptides. Bioorganic & Medicinal Chemistry, 12, 4815.CrossRef
Reusser, F., & Dolak, L. A. (1986). Novenamine is the active moiety in novobiocine. The Journal of Antibiotics, 39, 272.
Rodighiero, G., & Antonello, C. (1958). Sintesi di Alcuni Derivati 3-Ammino Cumarinici e Prime Notizie Sulle Loro Proprieta’ Antibatteriche. Bollettino Chimico Farmaceutico, 97, 592.
Rule, K. L., Ebbett, V. R., & Vikes, P. J. (2005). Formation of chloroform and chlorinated organics by free-chlorine-mediated oxidation of triclosan. Environmental Science and Technology, 39, 3176.CrossRef
Saiz-Urra, L., González-Díaz, H., & Uriarte, E. (2005). Proteins Markovian 3D-QSAR with spherically-truncated average electrostatic potentials. Bioorganic & Medicinal Chemistry, 13, 3641.CrossRef
Schmutz, E., Mühlenweg, A., Li, S., & Heide, L. (2003). Resistence genes of aminocoumarin producers: Two type II topoisomerase genes confer resistence against coumermycin A1 and clorobiocin. Antimicrobial Agents and Chemotherapy, 47, 869.CrossRef
Sener, E. A., Bingol, K. K., Oren, I., Arpaci, O. T., Yalcin, I., & Altanlar, N. (2000). Synthesis and microbiological activity of some N-(o-hydroxyphenyl)benzamides and phenylacetamides as the possible metabolites of antimicrobial active benzoxazoles: Part II. Il Farmaco, 55, 469.CrossRef
Shevchenko, N. E. (1999). Synthesis of 3-substituted furylethylamines. Chemistry of Heterocyclic Compounds, 35, 164.CrossRef
Shu, Y. Z. (1998). Recent natural products based drug development: A pharmaceutical industry perspective. Journal of Natural Products, 61, 1053.CrossRef
Simonyan, A. V. (1993). Activity of cinnamic acid derivatives and new methods for their synthesis (review). Pharmaceutical Chemistry Journal, 27(2), 92.CrossRef
Soltani, S., Dianat, S., & Sardari, S. (2009). Forward modeling of the coumarin antifungals; SPR/SAR based perspective avicenna. Journal of Medical Biotechnology, 1(2), 95.
Srivastava, A., Shukla, Y. N., & Kumar, S. (1999). Phytotoxic and antimicrobial constituents of Argyreia speciosa and Oenothera biennis. Journal of Ethnopharmacology, 67, 241.CrossRef
Tangallapally, R. P., Lee, R. E. B., Lenaerts, A. J. M., & Lee, R. E. (2006). Synthesis of new and potent analogues of anti-tuberculosis agent 5-nitro-furan-2-carboxylic acid 4-(4-benzyl-piperazin-1-yl)-benzylamide with improved bioavailability. Bioorganic & Medicinal Chemistry Letters, 16, 2584.CrossRef
Tawata, S., Taira, S., Kobamoto, N., Zhu, J., Ishihara, M., & Toyama, S. (1996). Synthesis and antifungal activity of cinnamic and esters. Bioscience Biotechnology & Biochemistry, 60, 909.CrossRef
Tisi, R., Coccetti, P., Banfi, S., & Martegani, E. (2001). 3-Nitrocoumarin is an efficient inhibitor of budding yeast phospholipase-C. Cell Biochemistry and Function, 19, 229.CrossRef
Todeschini, R., & Consonni, V. (2002). Handbook of molecular descriptors. Bicocca: Wiley-VCH.
Tomlin, C. (1994). The pesticide manual (10th ed.). Cambridge: British Crop Protection Council and Royal Society of Chemistry.
van de Waterbeemd, H., & Gifford, E. (2003). ADMET in silico modelling: Towards prediction paradise? Nature Reviews Drug Discovery, 2, 192.CrossRef
Vieira, P. C., Mafezoli, J., Pupo, M. T., Fernandes, J. B., da Silva, M. F. G. F., de Albuquerque, S., & Pavao, F. (2001). Strategies for the isolation and identification of trypanocidal compounds from the Rutales. Pure and Applied Chemistry, 73, 617.CrossRef
Zanatta, N., Faoro, D., Silva, S. C., Bonacorso, H. G., & Martins, M. A. P. (2004). Convenient synthesis of furan-3-carboxylic acid and derivatives. Tetrahedron Letters, 45, 5689.CrossRef
Zanatta, N., Alves, S. H., Coelho, H. S., Borchhardt, D. M., Machado, P., Flores, K. M., da Silva, F. M., Spader, T. B., Santurio, J. M., Bonacorso, H. G., & Martins, M. A. P. (2007). Synthesis, antimicrobial activity, and QSAR studies of furan-3-carboxamides. Bioorganic & Medicinal Chemistry, 15, 1947.CrossRef
Zhang, L., Cui, Z., Yin, B., Yang, G., Ling, Y., & Yang, X. (2010). QSAR and 3D-QSAR studies of the diacyl-hydrazine derivatives containing furan rings based on the density functional theory. Science China: Chemistry, 53(6), 1322.CrossRef
Metadata
Title
Quantitative Structure–Activity Relationships of Antimicrobial Compounds
Authors
F. P. Maguna
N. B. Okulik
Eduardo A. Castro
Copyright Year
2017
Book
Handbook of Computational Chemistry

Print ISBN: 978-3-319-27281-8

Electronic ISBN: 978-3-319-27282-5

Copyright Year: 2017

DOI
https://doi.org/10.1007/978-3-319-27282-5_38

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