Title:
特徴量算出方法、特徴量算出プログラム、特徴量算出装置、スクリーニング方法、スクリーニングプログラム、及び化合物創出方法
Document Type and Number:
Japanese Patent JP7297057
Kind Code:
B2
Abstract:
An object of the present invention is to provide a method, a program, and a device which enable calculation of a feature quantity accurately indicating chemical properties of a target structure. Further, another object of the present invention is to provide a method and a program which enable efficient screening of a pharmaceutical candidate compound using a feature quantity. Further, still another object of the present invention is to provide a method which enables efficient creation of a three-dimensional structure of a pharmaceutical candidate compound using a feature quantity. In a case where target structures have a similarity in the degree of accumulation of probes, this indicates that the target structures have similar chemical properties. That is, target structures having similar feature quantities calculated according to the first aspect exhibit similar chemical properties. Therefore, according to the first aspect, the feature quantity accurately showing the chemical properties of a target structure can be calculated.
Inventors:
Kousuke Tsumura
Atsushi Nakabayashi
Ohira Shino
Atsushi Nakabayashi
Ohira Shino
Application Number:
JP2021514871A
Publication Date:
June 23, 2023
Filing Date:
April 02, 2020
Export Citation:
Assignee:
Fujifilm Corporation
International Classes:
G16B15/30; G16B40/20
Domestic Patent References:
| JP2019508821A | ||||
| JP2017520868A | ||||
| JP201928879A | ||||
| JP2007213290A | ||||
| JP2004220571A |
Foreign References:
| US20130046482 | ||||
| WO2009064015A1 | ||||
| WO2014034577A1 |
Attorney, Agent or Firm:
Kenzo Matsuura
Kazuki Ohara
Kiyoshi Matsumura
Constitutional Matsuura
Kazuki Ohara
Kiyoshi Matsumura
Constitutional Matsuura