Quantitative structure activity relationships
Synthesis and theoretical characterization of some new 4-substituted-1,3-diphenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazoles with potential pharmacological activity
Authors: Agata Siwek , Monika Wujeca, Joanna Stefańskab, Piotr Panethc
Publication year: 2008
Journal / Book title: Heteroatom Chemistry
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Linear free energy relationships of half-wave reduction potentials of (E)-4-aryl-4-oxo-2-butenoic acids
Authors: Ferenc T. Pastora and Branko J. Drakulić
Publication year: 2010
Journal / Book title: Tetrahedron Letters
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Calculation of quantum-mechanical Descriptors for QSPR at the DFT level: Is it necessary?
Author(s): Puzyn T (Puzyn, Tomasz), Suzuki N (Suzuki, Noriyuki), Haranczyk M (Haranczyk, Maciej), Rak J (Rak, Janusz)
Publication year: 2008
Journal / Book title: JOURNAL OF CHEMICAL INFORMATION AND MODELING
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Linear free energy relationship based estimates for the congener specific relative reductive defluorination rates of perfluorinated alkyl compounds
Author(s): Rayne S (Rayne, Sierra), Forest K (Forest, Kaya), Friesen KJ (Friesen, Ken J.)
Publication year: 2009
JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING
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A tentative quantitative structure–toxicity relationship study of benzodiazepine drugs
Authors: Simona Funar-Timofei, Daniela Ionescu, Takahiro Suzuki
Publication year: 2010
Journal / Book title: Toxicology in Vitro
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Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids
Authors: Dragan Amića and Bono Lučić
Publication year: 2010
Journal / Book title: Bioorganic & Medicinal Chemistry
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