Literature DB >> 10664573

Quantitative structure-property relationships in pharmaceutical research - Part 2.

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Abstract

Part one of this two-part review described the advantages and limitations of quantitative structure-property relationships (QSPR), and offered an overview of the components involved in the development of correlations1. Part two provides a discussion of a few notable examples of relationships with organoleptic, physicochemical and pharmaceutical properties.

Year:  2000        PMID： 10664573     DOI： 10.1016/s1461-5347(99)00215-1

Source DB:  PubMed          Journal:  Pharm Sci Technolo Today        ISSN： 1461-5347


  6 in total

1.  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

2.  Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms.

Authors:  Guillaume Fayet; Patricia Rotureau; Laurent Joubert; Carlo Adamo
Journal:  J Mol Model       Date:  2010-12-21       Impact factor: 1.810

3.  Ligand Classifier of Adaptively Boosting Ensemble Decision Stumps (LiCABEDS) and its application on modeling ligand functionality for 5HT-subtype GPCR families.

Authors:  Chao Ma; Lirong Wang; Xiang-Qun Xie
Journal:  J Chem Inf Model       Date:  2011-03-07       Impact factor: 4.956

4.  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

5.  Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening.

Authors:  Rafaela Gladysz; Fabio Mendes Dos Santos; Wilfried Langenaeker; Gert Thijs; Koen Augustyns; Hans De Winter
Journal:  J Cheminform       Date:  2018-03-07       Impact factor: 5.514

6.  Development and experimental test of support vector machines virtual screening method for searching Src inhibitors from large compound libraries.

Authors:  Bucong Han; Xiaohua Ma; Ruiying Zhao; Jingxian Zhang; Xiaona Wei; Xianghui Liu; Xin Liu; Cunlong Zhang; Chunyan Tan; Yuyang Jiang; Yuzong Chen
Journal:  Chem Cent J       Date:  2012-11-23       Impact factor: 4.215
  6 in total

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