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Literature DB >> 1032667

Molecular connectivity VII: specific treatment of heteroatoms.

Abstract

The molecular connective index, chi, initially designed for hydrocarbons, has been formally extended to molecules containing heteroatoms. The sigma value of the heteroatom is modified to take account of its number of attached hydrogen atoma, sigmaiv = Zv - hi. These values were successfully tested on boiling points and molar refractions. A table of sigmav values is presented for nitrogen, oxygen, fluorine, chlorine, bromine, and iodine in various bonding situations.

Entities: Chemical Species

Mesh：

Year: 1976 PMID： 1032667 DOI： 10.1002/jps.2600651228

Source DB: PubMed Journal: J Pharm Sci ISSN： 0022-3549 Impact factor: 3.534

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Cited

14 in total

1. Solubility prediction by recursive partitioning.

Authors: Xiaoyang Xia; Edward Maliski; Janet Cheetham; Leszek Poppe
Journal: Pharm Res Date: 2003-10 Impact factor: 4.200

2. Prediction of solubility of aliphatic alcohols using the restricted components of autocorrelation method (RCAM).

Authors: Mohamed Nohair; Driss Zakarya
Journal: J Mol Model Date: 2003-08-23 Impact factor: 1.810

3. Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).

Authors: Scott Oloff; Shuxing Zhang; Nagamani Sukumar; Curt Breneman; Alexander Tropsha
Journal: J Chem Inf Model Date: 2006 Mar-Apr Impact factor: 4.956

Review 4. Variable connectivity index as a tool for modeling structure-property relationships.

Authors: Milan Randić; Matevz Pompe; Denise Mills; Subhash C Basak
Journal: Molecules Date: 2004-12-31 Impact factor: 4.411

5. Structure property relationships of amino acids and some dipeptides.

Authors: L Pogliani
Journal: Amino Acids Date: 1994-06 Impact factor: 3.520

6. Determination of Some Non-sedating Antihistamines via Their Native Fluorescence and Derivation of Some Quantitative Fluorescence Intensity - Structure Relationships.

Authors: Michael E El-Kommos; Samia M El-Gizawy; Noha N Atia; Noha M Hosny
Journal: J Fluoresc Date: 2015-10-06 Impact factor: 2.217

Molecular connectivity VII: specific treatment of heteroatoms.

1. Solubility prediction by recursive partitioning.

2. Prediction of solubility of aliphatic alcohols using the restricted components of autocorrelation method (RCAM).

3. Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).

Review 4. Variable connectivity index as a tool for modeling structure-property relationships.

5. Structure property relationships of amino acids and some dipeptides.

6. Determination of Some Non-sedating Antihistamines via Their Native Fluorescence and Derivation of Some Quantitative Fluorescence Intensity - Structure Relationships.

7. Structural influences and mechanisms of toxic effects of alcohols and their derivatives.

8. A skin permeability model of insulin in the presence of chemical penetration enhancer.

9. Study on QSTR of benzoic acid compounds with MCI.

10. Valence topological charge-transfer indices for dipole moments: percutaneous enhancers.