Beware of R2: simple, unambiguous assessment of the prediction accuracy of QSAR and QSPR
studies of 9-aniliioacridine derivatives for their DNA drug binding properties based on density functional theory using statistical methods: model, validation and influencing factors," Journal of Taibah University for Science, vol.
The purpose of this work is to study the retention/release property of odorant molecules in the water by varying their chemical class and molecular structure (linear, branched and/or unsaturated) using QSPR
chemical modeling methods
It covers some of the most exotic cartridge types ever conceived, including SPIW, SAW, FABRL, SALVO, SCAMP, Tombstone, Squeeze Bore, Taper Bore, Flechette, Simplex, Duplex, Triplex, Multiplex, Folded, Tround, Caseless, Expellable, QSPR
, Rocket Propelled, Underwater and, my favorite, the Alpha series silent cartridges that propelled a bullet via a captive piston system.
In this study, we have used Quantitative Structure-Property Relationships (QSPR
) methodology to correlate the chemical structure of the polymer to its flammability.
Characterization of mixtures Part 1: Prediction of infinite-dilution activity coefficients using neural network-based QSPR
Reporting on research at the University of Bayreuth into constructive combinatorics based on the use of finite groups actions, the book describes, extends, and applies methods of computer chemistry and chemoinformatics that can be used in generating molecular structure, elucidating structure, combinatorial chemistry, quantitative structure-property relations (QSPR
), generating chemical patent libraries, and other applications.
The well known degree-based topological indices are the first and second Zagreb indices [M.sub.1] and [M.sub.2], which have been introduced by Gutman and Trinajstic  and applied to study molecular chirality in quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR
) analysis and so forth.
study of the effect of steroidal hydroxy and oxo substituents on the critical micellar concentration of bile acids," Steroids, vol.