A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of Seven Molecular Descriptors: Heat of Combustion, LogPO/W, LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability-Reference-Cited by-同舟云学术

A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of Seven Molecular Descriptors: Heat of Combustion, LogPO/W, LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability

Published:2015-10-07 Issue:10 Volume:20 Page:18279-18351
ISSN:1420-3049
Container-title:Molecules
language:en
Short-container-title:Molecules

Author:

Naef Rudolf

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

Link

http://www.mdpi.com/1420-3049/20/10/18279/pdf

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5. A New Substituent Constant, π, Derived from Partition Coefficients

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