نتایج جستجو برای: molecular property

تعداد نتایج: 786783  

The quantitative structure-property relationship (QSPR) method is used to develop the correlation between structures of refrigerants (198 compounds) and their critical temperature. Molecular descriptors calculated from structure alone were used to represent molecular structures. A subset of the calculated descriptors selected using a genetic algorithm (GA) was used in the QSPR model development...

Background: Cancer refers to the abnormal growth of cells and is still the most common cause of morbidity in world. The purpose of this study was to determine cytotoxicity effect of high molecular weight (HMWC) and low molecular weight of chitosan (LMWC) on three cancerous cell lines MCF-7, HeLa and Saos-2 with different histological origin. Methods: The anticancer property of two types of chi...

Journal: :journal of the iranian chemical research 0
mehrana motiee young researchers club, islamic azad university, arak branch, arak, iran

an important property that has been extensively studied in quantitative structure activityrelationship (qsar) is the chromatographic retention index. qsar study is suggested for theprediction of retention index of alkanes and alkenes compounds. modeling of the retention indexof alkanes and alkenes compounds as a function of molecular structures was established bydifferent chemometrics methods. ...

An important property that has been extensively studied in quantitative structure activityrelationship (QSAR) is the chromatographic retention index. QSAR study is suggested for theprediction of retention index of alkanes and alkenes compounds. Modeling of the retention indexof alkanes and alkenes compounds as a function of molecular structures was established bydifferent chemometrics methods. ...

Journal: :ACS Medicinal Chemistry Letters 2015

Journal: :Journal of Chemical Information and Modeling 2019

Journal: :Journal of molecular graphics & modelling 2001
S D Nelson P G Seybold

Structure-property relationships were obtained for 11 physical and chemical properties (boiling points (bp), melting points (mp), molar refractions (MR), molar volumes (MV), heats of combustion (HCKJ), molar heats of vaporization (HVMOL), flashpoints (FLASHK), second virial coefficients (VIRC2), critical temperatures (Tc), critical pressures (Pc), and viscosities (VISC)) for a data set consisti...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تربیت مدرس - دانشکده علوم پایه 1387

چکیده ندارد.

Journal: :Journal of Chemical Information and Computer Sciences 1995
Igor I. Baskin Mariya I. Skvortsova Ivan V. Stankevich Nikolai S. Zefirov

It is proved that any molecular graph invariant (that is any topological index) can be uniquely represented as (1) a linear combination of occurrence numbers of some substructures (fragments), both connected and disconnected, or (2) a polynomial on occurrence numbers of connected substructures of corresponding molecular graph. Besides, any (0,l)-valued molecular graph invariant can be uniquely ...

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