Literature DB >> 10661545

Structurally diverse quantitative structure--property relationship correlations of technologically relevant physical properties

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Abstract

Year:  2000        PMID: 10661545     DOI: 10.1021/ci9903206

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN: 0095-2338


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  16 in total

1.  Semi-empirical topological index: a tool for QSPR/QSAR studies.

Authors:  Berenice da Silva Junkes; Anna Celia Silva Arruda; Rosendo Augusto Yunes; Ledilege Cucco Porto; Vilma Edite Fonseca Heinzen
Journal:  J Mol Model       Date:  2005-02-19       Impact factor: 1.810

2.  Novel distance-based atom-type topological indices DAI for QSPR/QSAR studies of alcohols.

Authors:  Chunhui Lu; Weimin Guo; Yang Wang; Chunsheng Yin
Journal:  J Mol Model       Date:  2006-01-13       Impact factor: 1.810

3.  Elucidation of specific aspects of dielectric constants of conjugated organic compounds: a QSPR approach.

Authors:  Areum Lee; Daejin Kim; Kyung-Hyun Kim; Seung-Hoon Choi; Kihang Choi; Dong Hyun Jung
Journal:  J Mol Model       Date:  2011-04-27       Impact factor: 1.810

4.  Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review.

Authors:  Laure Mamy; Dominique Patureau; Enrique Barriuso; Carole Bedos; Fabienne Bessac; Xavier Louchart; Fabrice Martin-Laurent; Cecile Miege; Pierre Benoit
Journal:  Crit Rev Environ Sci Technol       Date:  2015-06-18       Impact factor: 12.561

5.  QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations.

Authors:  Jianying Zhang; Gangling Chen; Xuedong Gong
Journal:  J Mol Model       Date:  2017-05-22       Impact factor: 1.810

6.  Estimation of melting points of large set of persistent organic pollutants utilizing QSPR approach.

Authors:  Marquita Watkins; Natalia Sizochenko; Bakhtiyor Rasulev; Jerzy Leszczynski
Journal:  J Mol Model       Date:  2016-02-13       Impact factor: 1.810

7.  Using variable and fixed topological indices for the prediction of reaction rate constants of volatile unsaturated hydrocarbons with OH radicals.

Authors:  Matevz Pompe; Marjan Veber; Milan Randić; Alexandru T Balaban
Journal:  Molecules       Date:  2004-12-31       Impact factor: 4.411

8.  QSPR modeling of thermal stability of nitroaromatic compounds: DFT vs. AM1 calculated descriptors.

Authors:  Guillaume Fayet; Patricia Rotureau; Laurent Joubert; Carlo Adamo
Journal:  J Mol Model       Date:  2010-01-05       Impact factor: 1.810

Review 9.  QSPR studies on aqueous solubilities of drug-like compounds.

Authors:  Pablo R Duchowicz; Eduardo A Castro
Journal:  Int J Mol Sci       Date:  2009-06-03       Impact factor: 6.208

10.  Sorption of selected antiparasitics in soils and sediments.

Authors:  Andre Patrick Heinrich; Timm Zöltzer; Leonard Böhm; Manuel Wohde; Sara Jaddoudi; Yassine El Maataoui; Abdelmalek Dahchour; Rolf-Alexander Düring
Journal:  Environ Sci Eur       Date:  2021-07-02       Impact factor: 5.893

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