FEATURE QUANTITY CALCULATING METHOD, FEATURE QUANTITY CALCULATING PROGRAM AND FEATURE QUANTITY CALCULATING DEVICE, SCREENING METHOD, SCREENING PROGRAM AND SCREENING DEVICE, COMPOUND CREATING METHOD, COMPOUND CREATING PROGRAM AND COMPOUND CREATING DEVICE

Title:

Document Type and Number:

WIPO Patent Application WO/2019/078006

Kind Code:

A1

Abstract:

Provided are a feature quantity calculating method, a feature quantity calculating program and a feature quantity calculating device capable of calculating a feature quantity that accurately indicates a chemical property of a target structure, a screening method, a screening program and a screening device capable of efficiently screening a pharmaceutical candidate compound using a feature quantity, and a compound creating method, a compound creating program and a compound creating device capable of efficiently creating a three-dimensional structure of a pharmaceutical candidate compound using a feature quantity. Since a chemical property of a target structure is represented as the result of an interaction between the target structure and a probe at the periphery thereof, the fact that the degree of accumulation (feature quantity) of the probe is similar between target structures indicates that the chemical properties of the target structures are similar. A feature quantity accurately indicating a chemical property of a target structure can therefore be calculated by means of a feature quantity calculating method according to one embodiment of the present invention.

Inventors:

TSUMURA KYOSUKE (JP)
OHIRA SHINO (JP)
NAKABAYASHI JUN (JP)
TAKEI MIZUKI (JP)

Application Number:

PCT/JP2018/037051

Publication Date:

April 25, 2019

Filing Date:

October 03, 2018

Export Citation:

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Assignee:

FUJIFILM CORP (JP)

International Classes:

G06F19/16

Domestic Patent References:

WO2005103994A1

2005-11-03

Foreign References:

JP2004287812A	2004-10-14
JP2007299125A	2007-11-15
US20120232856A1	2012-09-13
US9373059B1	2016-06-21
JPS5946045B2	1984-11-10
JP4564097B2	2010-10-20

Other References: