The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Oct. 16, 2018

Filed:

Jul. 15, 2014
Applicant:

Lg Chem, Ltd., Seoul, KR;

Inventors:

Seungyup Lee, Daejeon, KR;

Hyesung Cho, Daejeon, KR;

Assignee:

LG Chem, Ltd., Seoul, KR;

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G06F 19/00 (2018.01);
U.S. Cl.
CPC ...
G06F 19/701 (2013.01);
Abstract

The present invention relates to a molecular orbital similarity deviation evaluation method comprising: a) a step for selecting two subject molecular orbitals, the molecular orbital similarity of which is to be compared, then obtaining Nmulti-block spectrums (MBS) having different block sizes, and subsequently combining NMBS pairs having the same block size; b) a step for calculating a TSS(m) score for each MBS pair (m being the number of the MBS and being from 1 to N) by carrying out a multi-step uniformity evaluation on the NMBS pairs; and c) a step for calculating the standard deviation of the TSS(m) scores for the NMBS pairs and using same to quantitatively evaluate the molecular orbital similarity deviation.


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