Structure–property models of organic compounds based on molecular graphs with elements of the spatial structures of the molecules

Objectives. This article aims to describe, elaborate, and test a general algorithmic method for constructing the structure–property models for organic compounds.Results. The construction of the models is based on the statistical analysis of some sets of chemical structures of definite classes with k...

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Bibliographic Details
Main Authors: N. A. Shulaeva, M. I. Skvortsova, N. A. Mikhailova
Format: Article
Language:Russian
Published: MIREA - Russian Technological University 2021-01-01
Series:Тонкие химические технологии
Subjects:
Online Access:https://www.finechem-mirea.ru/jour/article/view/1663