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Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties
Abstract
ADVERTISEMENT RETURN TO ISSUEArticleNEXTStructurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical PropertiesAlan R. Katritzky, Uko Maran, Victor S. Lobanov, and Mati KarelsonView Author Information Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, P.O. Box 117200, Gainesville, Florida 32611-7200, Department of Chemistry, University of Tartu, Jakobi Street 2, Tartu 51014, Estonia, and 3-Dimensional Pharmaceuticals, Inc., 665 Stockton Drive, Suite 104, Exton, Pennsylvania 19341 Cite this: J. Chem. Inf. Comput. Sci. 2000, 40, 1, 1–18Publication Date (Web):November 25, 1999Publication History Received16 August 1999Published online25 November 1999Published inissue 1 January 2000https://pubs.acs.org/doi/10.1021/ci9903206https://doi.org/10.1021/ci9903206research-articleACS PublicationsCopyright © 2000 American Chemical SocietyRequest reuse permissionsArticle Views1180Altmetric-Citations217LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access options SUBJECTS:Molecular interactions,Molecules,Quantitative structure property relationship,Solubility,Transition temperature Get e-Alerts
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Citations
Cites
(2005) · Technometrics · doi:10.1198/tech.2005.s303 · Cited by 17,923
Self-Organization and Associative Memory
Kohonen, T. (1989) · Springer Series in Information Sciences · doi:10.1007/978-3-642-88163-3 · Cited by 8,740
Solvents and Solvent Effects in Organic Chemistry
Reichardt, C. (2002) · Wiley eBooks · doi:10.1002/3527601791 · Cited by 5,789
Hahn, G. J., Draper, N., & Smith, H. (1982) · Technometrics · doi:10.2307/1267833 · Cited by 5,773
Solvents and Solvent Effects in Organic Chemistry
Reichardt, C., & Welton, T. (2010) · Wiley eBooks · doi:10.1002/9783527632220 · Cited by 4,280
Structural Determination of Paraffin Boiling Points
Wiener, H. (1947) · Journal of the American Chemical Society · doi:10.1021/ja01193a005 · Cited by 4,148
Self-Organization and Associative Memory
Kohonen, T. (1988) · Springer Series in Information Sciences · doi:10.1007/978-3-662-00784-6 · Cited by 3,812
Classical and Modern Regression With Applications.
Steinhorst, R. K., & Myers, R. H. (1988) · Journal of the American Statistical Association · doi:10.2307/2288958 · Cited by 3,690
Kamlet, M. J., Abboud, J. L. M., Abraham, M. H., & Taft, R. W. (1983) · The Journal of Organic Chemistry · doi:10.1021/jo00165a018 · Cited by 3,428
Substituent constants for correlation analysis in chemistry and biology
Hansch, C. H., & Leo, A. J. (1979) · Medical Entomology and Zoology · Cited by 2,903
Substituent Constants for Correlation Analysis in Chemistry and Biology.
Flynn, G. L. (1980) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600690938 · Cited by 2,820
Blackwood, L. G., & Malinowski, E. R. (1994) · Technometrics · doi:10.2307/1269209 · Cited by 2,210
The solvatochromic comparison method. 6. The .pi.* scale of solvent polarities
Kamlet, M. J., Abboud, J. L., & Taft, R. W. (1977) · Journal of the American Chemical Society · doi:10.1021/ja00460a031 · Cited by 1,686
The properties of organic liquids that are relevant to their use as solvating solvents
Marcus, Y. (1993) · Chemical Society Reviews · doi:10.1039/cs9932200409 · Cited by 1,631
Molecular Connectivity in Chemistry and Drug Research
(1976) · Medicinal Chemistry · doi:10.1016/b978-0-12-406560-4.x5001-6 · Cited by 1,629
Quantum-Chemical Descriptors in QSAR/QSPR Studies
Karelson, M., Lobanov, V. S., & Katritzky, A. R. (1996) · Chemical Reviews · doi:10.1021/cr950202r · Cited by 1,622
Self-citation(1992) · Analytica Chimica Acta · doi:10.1016/0003-2670(92)85390-r · Cited by 1,550
Trinajstic, N. (2018) · Routledge eBooks · doi:10.1201/9781315139111 · Cited by 1,491
A New Substituent Constant, π, Derived from Partition Coefficients
Fujita, T., Iwasa, J., & Hansch, C. (1964) · Journal of the American Chemical Society · doi:10.1021/ja01077a028 · Cited by 1,370
Comprehensive medicinal chemistry
Timmerman, H., Bast, A., Van der Goot, H., Vermeulen, N. P. E., & Zeelen, F. J. (1991) · Trends in Pharmacological Sciences · doi:10.1016/0165-6147(91)90535-z · Cited by 1,163
Viswanadhan, V. N., Ghose, A. K., Revankar, G. R., & Robins, R. K. (1989) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00063a006 · Cited by 1,135
Molecular Connectivity in Structure-Activity Analysis
Kier, L. B., & Hall, L. H. (1986) · Medical Entomology and Zoology · Cited by 1,083
Rogers, D., & Hopfinger, A. J. (1994) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00020a020 · Cited by 982
Cabani, S., Gianni, P., Mollica, V., & Lepori, L. (1981) · Journal of Solution Chemistry · doi:10.1007/bf00646936 · Cited by 971
Handbook of chemical property estimation methods
Lyman, W. J., Reehl, W. F., & Rosenblatt, D. H. (1982) · Cited by 867
Atom/Fragment Contribution Method for Estimating Octanol–Water Partition Coefficients
Meylan, W. M., & Howard, P. H. (1995) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600840120 · Cited by 860
Prediction of Polymer Properties
Bicerano, J. (2002) · CRC Press eBooks · doi:10.1201/9780203910115 · Cited by 846
Scanlon, J. T., & Willis, D. E. (1985) · Journal of Chromatographic Science · doi:10.1093/chromsci/23.8.333 · Cited by 842
Ghose, A. K., Viswanadhan, V. N., & Wendoloski, J. J. (1998) · The Journal of Physical Chemistry A · doi:10.1021/jp980230o · Cited by 790
A critical review of Henry’s law constants for chemicals of environmental interest
Mackay, D., & Shiu, W. Y. (1981) · Journal of Physical and Chemical Reference Data · doi:10.1063/1.555654 · Cited by 763
Hermann, R. B. (1972) · The Journal of Physical Chemistry · doi:10.1021/j100663a023 · Cited by 700
Prediction of polymer properties
(1993) · Choice Reviews Online · doi:10.5860/choice.31-0937 · Cited by 684
Stanton, D. T., & Jurs, P. C. (1990) · Analytical Chemistry · doi:10.1021/ac00220a013 · Cited by 651
Quantitative structure—chromatographic retention relationships
(1988) · European Journal of Medicinal Chemistry · doi:10.1016/0223-5234(88)90180-8 · Cited by 641
Ghose, A. K., & Crippen, G. M. (1986) · Journal of Computational Chemistry · doi:10.1002/jcc.540070419 · Cited by 627
Handbook of Chemical Property Estimation Methods
Stewart, J. T. (1983) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600720132 · Cited by 578
QSPR: the correlation and quantitative prediction of chemical and physical properties from structure
Katritzky, A. R., Lobanov, V. S., & Karelson, M. (1995) · Chemical Society Reviews · doi:10.1039/cs9952400279 · Cited by 542
Self-citationAbraham, M. H., Andonian-Haftvan, J., Whiting, G. S., Leo, A., & Taft, R. S. (1994) · Journal of the Chemical Society, Perkin Transactions 2 · doi:10.1039/p29940001777 · Cited by 477
Relationships between octanol-water partition coefficient and aqueous solubility
Miller, M. M., Wasik, S. P., Huang, G. L., Shiu, W. Y., & Mackay, D. (1985) · Environmental Science & Technology · doi:10.1021/es00136a007 · Cited by 468
Hine, J., & Mookerjee, P. K. (1975) · The Journal of Organic Chemistry · doi:10.1021/jo00891a006 · Cited by 456
Information theoretic indices for characterization of chemical structures
Bonchev, D. (1983) · Research Studies Press eBooks · Cited by 454
Ghose, A. K., Pritchett, A., & Crippen, G. M. (1988) · Journal of Computational Chemistry · doi:10.1002/jcc.540090111 · Cited by 446
A New Atom-Additive Method for Calculating Partition Coefficients
Wang, R., Fu, Y., & Lai, L. (1997) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci960169p · Cited by 420
A new method for the estimation of partition coefficient
Bodor, N., Gabanyi, Z., & Wong, C. K. (1989) · Journal of the American Chemical Society · doi:10.1021/ja00193a003 · Cited by 406
Banerjee, S., Yalkowsky, S. H., & Valvani, C. (1980) · Environmental Science & Technology · doi:10.1021/es60170a013 · Cited by 318
Computer Automated log P Calculations Based on an Extended Group Contribution Approach
Klopman, G., Li, J.-Y., Wang, S., & Dimayuga, M. (1994) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00020a009 · Cited by 286
Comparison of Reliability of log P Values for Drugs Calculated by Several Methods.
MORIGUCHI, I., HIRONO, S., NAKAGOME, I., & HIRANO, H. (1994) · Chemical and Pharmaceutical Bulletin · doi:10.1248/cpb.42.976 · Cited by 278
Murray, J. S., Brinck, T., Lane, P., Paulsen, K., & Politzer, P. (1994) · Journal of Molecular Structure: THEOCHEM · doi:10.1016/0166-1280(94)80117-7 · Cited by 238
Quantitative treatments of solute/solvent interactions
Politzer, P. A., & Murray, J. S. (1994) · Cited by 230
Relationships between aqueous solubility and octanol-water partition coefficients
Mackay, D., Bobra, A., Shiu, W. Y., & Yalkowsky, S. H. (1980) · Chemosphere · doi:10.1016/0045-6535(80)90122-8 · Cited by 226
Neural Networks in QSAR and Drug Design
(1996) · Elsevier eBooks · doi:10.1016/b978-0-12-213815-7.x5000-6 · Cited by 221
Computational Chemical Graph Theory
R, B. M. (1993) · Journal of Molecular Structure · doi:10.1016/0022-2860(93)80221-g · Cited by 217
Broto, P., Moreau, G., & Vandycke, C. (1984) · Chimie thérapeutique · Cited by 208
Katritzky, A. R., Ignatchenko, E. S., Barcock, R. A., Lobanov, V. S., & Karelson, M. (1994) · Analytical Chemistry · doi:10.1021/ac00083a005 · Cited by 204
Self-citationHuibers, P. D. T., Lobanov, V. S., Katritzky, A. R., Shah, D. O., & Karelson, M. (1996) · Langmuir · doi:10.1021/la950581j · Cited by 193
Self-citationXiao, Q., Liu, K., Hong, Y., & Tang, H. (2024) · ACS In Focus · doi:10.1021/acsinfocus.7e8012 · Cited by 190
Yalkowsky, S. H., & Valvani, S. C. (1979) · Journal of Chemical & Engineering Data · doi:10.1021/je60081a021 · Cited by 187
Review of ring perception algorithms for chemical graphs
Downs, G. M., Gillet, V. J., Holliday, J. D., & Lynch, M. F. (1989) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00063a007 · Cited by 186
QSAR and 3D QSAR in drug design Part 2: applications and problems
Kubinyi, H. (1997) · Drug Discovery Today · doi:10.1016/s1359-6446(97)01084-2 · Cited by 177
Octanol-Water Partition: Searching for Predictive Models
Buchwald, P., & Bodor, N. (1998) · Current Medicinal Chemistry · doi:10.2174/0929867305666220319102516 · Cited by 173
Klopman, G., Wang, S., & Balthasar, D. M. (1992) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00009a013 · Cited by 165
Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling
Huuskonen, J., Salo, M., & Taskinen, J. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci970100x · Cited by 164
KATRITZKY, A. R., Wang, Y., Sild, S., Tamm, T., & Karelson, M. M. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci980022t · Cited by 154
Self-citationQSAR model for predicting Henry's constant
Nirmalakhandan, N. N., & Speece, R. E. (1988) · Environmental Science & Technology · doi:10.1021/es00176a016 · Cited by 152
Amidon, G. L., Yalkowsky, S. H., Anik, S. T., & Valvani, S. C. (1975) · The Journal of Physical Chemistry · doi:10.1021/j100588a008 · Cited by 149
Solubility and Partitioning. 3. The Solubility of Halobenzenes in Water
Yalkowsky, S. H., Orr, R. J., & Valvani, S. C. (1979) · Industrial & Engineering Chemistry Fundamentals · doi:10.1021/i160072a011 · Cited by 147
Automatic log P estimation based on combined additive modeling methods
Suzuki, T., & Kudo, Y. (1990) · Journal of Computer-Aided Molecular Design · doi:10.1007/bf00125317 · Cited by 141
Huibers, P. D. T., Lobanov, V. S., KATRITZKY, A. R., Shah, D. O., & Karelson, M. M. (1997) · Journal of Colloid and Interface Science · doi:10.1006/jcis.1996.4680 · Cited by 140
Self-citationPrediction of aqueous solubility of organic chemicals based on molecular structure
Nirmalakhandan, N. N., & Speece, R. E. (1988) · Environmental Science & Technology · doi:10.1021/es00168a014 · Cited by 132
Predicting Surfactant Cloud Point from Molecular Structure
Huibers, P. D. T., Shah, D. O., & KATRITZKY, A. R. (1997) · Journal of Colloid and Interface Science · doi:10.1006/jcis.1997.5053 · Cited by 132
Self-citationFamini, G. R., Penski, C. A., & Wilson, L. Y. (1992) · Journal of Physical Organic Chemistry · doi:10.1002/poc.610050704 · Cited by 131
Dunnivant, F. M., Elzerman, A. W., Jurs, P. C., & Hasan, M. (1992) · Environmental Science & Technology · doi:10.1021/es00032a012 · Cited by 125
Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure
Mitchell, B. E., & Jurs, P. C. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci970117f · Cited by 117
Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling
Lučić, B., & Trinajstić, N. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci980090f · Cited by 115
Reaction of triflates with potassium diethyl phosphite. Formation of phosphate esters
Creary, X., Benage, B., & Hilton, K. (1983) · The Journal of Organic Chemistry · doi:10.1021/jo00165a019 · Cited by 112
Luke, B. T. (1994) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00022a009 · Cited by 108
Liu, S., Cao, C., & Li, Z. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci970109z · Cited by 107
Hall, L. H., & Story, C. T. (1996) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci960375x · Cited by 107
Neural network studies. 1. Estimation of the aqueous solubility of organic compounds
Bodor, N. S., Harget, A. J., & Huang, M. J. (1991) · Journal of the American Chemical Society · doi:10.1021/ja00025a009 · Cited by 107
Molecular Size Based Approach To Estimate Partition Properties for Organic Solutes
Bodor, N., & Buchwald, P. (1997) · The Journal of Physical Chemistry B · doi:10.1021/jp9638503 · Cited by 102
Basak, S. C., Gute, B. D., & Grunwald, G. D. (1997) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci960176d · Cited by 102
Myrdal, P. B., Manka, A. M., & Yalkowsky, S. H. (1995) · Chemosphere · doi:10.1016/0045-6535(95)00026-5 · Cited by 100
Use of a neural network to determine the boiling point of alkanes
Cherqaoui, D., & Villemin, D. (1994) · Journal of the Chemical Society Faraday Transactions · doi:10.1039/ft9949000097 · Cited by 97
Calculation of partition coefficients by the charge density method
Klopman, G., & Iroff, L. D. (1981) · Journal of Computational Chemistry · doi:10.1002/jcc.540020204 · Cited by 95
Gramatica, P., Navas, N., & Todeschini, R. (1998) · Chemometrics and Intelligent Laboratory Systems · doi:10.1016/s0169-7439(97)00079-8 · Cited by 93
Neural Network Modeling for Estimation of the Aqueous Solubility of Structurally Related Drugs
Huuskonen, J. J., Salo, M., & Taskinen, J. (1997) · Journal of Pharmaceutical Sciences · doi:10.1021/js960358m · Cited by 93
Assessment of n-Octanol/Water Partition Coefficient: When Is the Assessment Reliable?
Gombar, V. K., & Enslein, K. (1996) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci960028n · Cited by 89
Suzuki, T. (1991) · Journal of Computer-Aided Molecular Design · doi:10.1007/bf00129753 · Cited by 89
Sutter, J. M., & Jurs, P. C. (1996) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci9501507 · Cited by 89
Prediction of gas chromatographic retention indices of alkylbenzenes
Sutter, J. M., Peterson, T. A., & Jurs, P. C. (1997) · Analytica Chimica Acta · doi:10.1016/s0003-2670(96)00578-8 · Cited by 86
Breindl, A., Beck, B., Clark, T., & Glen, R. C. (1997) · Journal of Molecular Modeling · doi:10.1007/s008940050027 · Cited by 86
QSPR Prediction of Vapor Pressure from Solely Theoretically-Derived Descriptors
Liang, C., & Gallagher, D. A. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci970289c · Cited by 86
Lučić, B., Trinajstić, N., Sild, S., Karelson, M. M., & KATRITZKY, A. R. (1999) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci980161a · Cited by 85
Self-citationPrediction of Aqueous Solubility of Organic Compounds
Nelson, T. M., & Jurs, P. C. (1994) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00019a019 · Cited by 83
Atom based parametrization for a conformationally dependent hydrophobic index
Kantola, A., Villar, H. O., & Loew, G. H. (1991) · Journal of Computational Chemistry · doi:10.1002/jcc.540120605 · Cited by 82
A new method for the estimation of the aqueous solubility of organic compounds
Bodor, N. S., & Huang, M. (1992) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600810924 · Cited by 82
Basak, S. C., Gute, B. D., & Grunwald, G. D. (1996) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci960024i · Cited by 82
Tetteh, J., Metcalfe, E., & Howells, S. (1996) · Chemometrics and Intelligent Laboratory Systems · doi:10.1016/0169-7439(95)00088-7 · Cited by 81
Comparative Evaluation of the Predictive Power of Calculation Procedures for Molecular Lipophilicity
Mannhold, R., Rekker, R. F., Sonntag, C., ter Laak, A., Dross, K. P., & Polymeropoulos, E. E. (1995) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600841206 · Cited by 79
A computer automated structure evaluation (CASE) approach to calculation of partition coefficient
Klopman, G., & Wang, S. (1991) · Journal of Computational Chemistry · doi:10.1002/jcc.540120815 · Cited by 78
Brinck, T., Murray, J. S., & Politzer, P. A. (1993) · The Journal of Organic Chemistry · doi:10.1021/jo00077a028 · Cited by 73
Huibers, P. D. T., & KATRITZKY, A. R. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci9700438 · Cited by 70
Self-citation3D QSAR: Current State, Scope, and Limitations
Martin, Y. C. (2005) · Kluwer Academic Publishers eBooks · doi:10.1007/0-306-46858-1_1 · Cited by 63
Prediction of Gas-Chromatographic Retention Indices Using Topological Descriptors
Pompe, M., & Novič, M. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci980036z · Cited by 58
Ivanciuc, O., Ivanciuc, T., & Balaban, A. T. (1998) · Tetrahedron · doi:10.1016/s0040-4020(98)00550-x · Cited by 57
Grigoras, S. (1990) · Journal of Computational Chemistry · doi:10.1002/jcc.540110408 · Cited by 53
Molecular Connectivity Analyses of Structure Influencing Chromatographic Retention Indexes
Kier, L. B., & Hall, L. H. (1979) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600680143 · Cited by 51
Estimation of the aqueous solubility of complex organic compounds
Yalkowsky, S. H. (1993) · Chemosphere · doi:10.1016/0045-6535(93)90179-9 · Cited by 48
Eiceman, G. A., Hill, H. H., & Gardea-Torresdey, J. L. (1998) · Analytical Chemistry · doi:10.1021/a1980016l · Cited by 36
Patil, G. S. (1994) · Journal of Hazardous Materials · doi:10.1016/0304-3894(93)e0049-8 · Cited by 35
Bünz, A. P., Braun, B., & Janowsky, R. (1998) · Industrial & Engineering Chemistry Research · doi:10.1021/ie970910y · Cited by 32
Prediction of gas chromatographic retention index data by neural networks
Bruchmann, A., Zinn, P., & Haffer, C. M. (1993) · Analytica Chimica Acta · doi:10.1016/0003-2670(93)85300-9 · Cited by 31
A model based QSPR analysis of the unified non-specific solvent polarity scale
Mu, L., Drago, R. S., & Richardson, D. E. (1998) · Journal of the Chemical Society Perkin Transactions 2 · doi:10.1039/a702584j · Cited by 31
Relationships of Critical Temperatures to Calculated Molecular Properties
KATRITZKY, A. R., Mu, L., & Karelson, M. M. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci970071q · Cited by 29
Self-citationA Three‐Dimensional Technique for the Calculation of Octanol‐Water Partition Coefficients
Waller, C. L. (1994) · Quantitative Structure-Activity Relationships · doi:10.1002/qsar.19940130208 · Cited by 20
Neural network studies. 4. An extended study of the aqueous solubility of organic compounds
Bodor, N. S., Huang, M., & Harget, A. J. (1992) · International Journal of Quantum Chemistry · doi:10.1002/qua.560440874 · Cited by 17
Calculation of octanol-water partition coefficients of organic solutes from their molecular volumes
Edward, J. T. (1998) · Canadian Journal of Chemistry · doi:10.1139/v98-162 · Cited by 16
Cited by
Mamy, L., Patureau, D., Barriuso, E., Bedos, C., Bessac, F., Louchart, X., Martin-laurent, F., Miege, C., & Benoit, P. (2015) · Critical Reviews in Environmental Science and Technology · doi:10.1080/10643389.2014.955627 · Cited by 177
Metadata
- Authors
- Katritzky, A. R., Maran, U., Lobanov, V. S., & Karelson, M.
- Venue
- Journal of Chemical Information and Computer Sciences
- Publisher
- American Chemical Society (ACS)
- Published
- 1999-11-25
- Volume
- 40
- Issue
- 1
- Pages
- 1-18
- ISSN
- 0095-2338 (ISSN-L)
- OpenAlex
- W2014837596
- Cited by
- 271
- References
- 118
- FWCI
- 20.48
- Type
- journal article
- Language
- en
- Open access
- closed
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