Journal of Molecular Structure THEOCHEM

5 ta ish

Jurnal · ISSN 0166-1280

1. 3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes

   Andrey A. Toropov, Alla P. Toropova, Т. Т. Исмаилов +1

   MaqolaComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM19985 iqtibos

   ABIABI:AkademIndex/2026.other.526522

2. Nearest neighboring code and hydrogen bond index in labeled hydrogen-filled graph and graph of atomic orbitals: application to model of normal boiling points of haloalkanes

   Andrey A. Toropov, Alla P. Toropova

   MaqolaComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20041 iqtibos

   ABIABI:AkademIndex/2026.other.355727

3. Comparison of QSAR models of anti-HIV-1 potencies based on labeled hydrogen filled graph and graph of atomic orbitals

   Andrey A. Toropov, Alla P. Toropova, I.V. Nesterov +1

   MaqolaHIV/AIDS drug development and treatmentJournal of Molecular Structure THEOCHEM20031 iqtibos

   ABIABI:AkademIndex/2026.other.362656

4. Calculation of the polarizability vibrational matrix elements from the Raman intensity of the ν1, 2ν2 Fermi diad in CO2

   Р. А. Ахмеджанов, A. K. Atakhodzhaev, M. O. Bulanin

   MaqolaSpectroscopy and Laser ApplicationsJournal of Molecular Structure THEOCHEM19820 iqtibos

   ABIABI:AkademIndex/1982.article.000016

5. QSAR study of the toxic action of aliphatic compounds to the bacteria Vibrio fisheri based on correlation weighting of local graph invariants

   Eduardo A. Castro, Andrey A. Toropov, A.I. Nesterova +1

   MaqolaOAOchiq kirishComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM20030 iqtibos

   ABIABI:AkademIndex/2003.article.000097