全部文献期刊学位论文会议报纸专利标准年鉴图书|学者科研项目
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作者:Masoud Shariati-Rad , Masoumeh Hasani
来源:[J].Journal of the Iranian Chemical Society(IF 1.467), 2013, Vol.10 (6), pp.1247-1256Springer
摘要:Abstract(#br)Using the formation constants of 74 charge–transfer complexes in which iodine and iodine monochloride act as acceptors, quantitative structure–property relationships models were developed for predicting these constants for the first time. The procedure was bas...
作者:J. Jesús Naveja , B. Angélica Pilón-Jiménez , Jürgen Bajorath ...
来源:[J].Journal of Cheminformatics(IF 3.59), 2019, Vol.11 (1), pp.1-9Springer
摘要:Abstract(#br)Scaffold analysis of compound data sets has reemerged as a chemically interpretable alternative to machine learning for chemical space and structure–activity relationships analysis. In this context, analog series-based scaffolds (ASBS) are synthetically relevan...
作者:Ajit S. Kulkarni , Amit J. Kasabe , Manish S. Bhatia ...
来源:[J].AAPS PharmSciTech(IF 1.584), 2019, Vol.20 (7), pp.1-10Springer
摘要:Abstract(#br)Chemoinformatics is emerging as a new trend to set drug discovery which correlates the relationship between structure and biological functions. The main aim of chemoinformatics refers to analyzing the similarity among molecules, searching the molecules in the st...
作者:Lorentz Jäntschi
来源:[J].Applied Water Science, 2019, Vol.9 (2), pp.1-11Springer
摘要:... There are many ways to express the structural information as structure descriptors, but the alternatives become fewer when looking for invariants with good identification abilities, and the characteristic polynomial is one of them. The disadvantage of the characteristic poly...
作者:Xinliang Yu , Lei Huang
来源:[J].Journal of Thermal Analysis and Calorimetry(IF 1.982), 2017, Vol.130 (2), pp.943-947Springer
摘要:Due to the requirements of industrial production, many oil additives must be used at a high temperature. It is of great significance to study the thermal stability of lubricant additives. To our knowledge, there is no literature about the QSPR studies of thermal stability of lubr...
作者:Qin Ouyang , Dapeng Liu , Xuefeng Jiang ...
来源:[J].Spectroscopy Letters(IF 0.667), 2018, Vol.51 (2), pp.89-95Taylor & Francis
摘要:... A good linear relationship between the electrical resistivity and the structural order was found.
作者:Adeel Afzal
来源:[J].Spectroscopy Letters(IF 0.667), 2015, Vol.48 (6), pp.411-416Taylor & Francis
摘要:The structural and morphological features influencing the glass transition temperature of epoxy/silica nanohybrid and nanocomposite materials containing 25–30 phr of nanoscale silica phases are discussed in this letter to answer the questions related to the processing–structure–property relationships...
作者:K. Devendranath Ramkumar , Ankur Bajpai , Shubham Raghuvanshi ...
来源:[J].Materials Science & Engineering A(IF 2.108), 2015, Vol.638, pp.60-68Elsevier
摘要:... The study also explored the structure–property relationships of the flux assisted weldments using the combined techniques of optical and scanning electron microscopy analysis. Owing to the better metallurgical and mechanical properties, this study recommends the use of ...
作者:Seyed Mahmoud Mousavisafavi , Seyyed Alireza Mirkhani , Farhad Gharagheizi ...
来源:[J].Journal of Thermal Analysis and Calorimetry(IF 1.982), 2013, Vol.111 (1), pp.235-246Springer
摘要:... For this purpose, the quantitative structure–property relationship (QSPR) method is employed to develop two models for the determination of glass transition temperature. In part I of this study, genetic function approximation is applied for model’s parameter selection (m...
作者:Marquita Watkins , Natalia Sizochenko , Quentarius Moore ...
来源:[J].Journal of Molecular Modeling(IF 1.984), 2017, Vol.23 (2), pp.1-8Springer
摘要:... Experimental data were used to construct structure–adsorption relationship (SAR) models that describe the recovery process. Specific interactions between solvents and chlorophenols were taken into account in the calculations by using novel specific mixture descriptors.

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