Title:
特徴量算出方法、スクリーニング方法、及び化合物創出方法
Document Type and Number:
Japanese Patent JP6826672
Kind Code:
B2
Abstract:
Provided are a feature quantity calculating method, a feature quantity calculating program, and a feature quantity calculating device which enable calculation of a feature quantity accurately showing chemical properties of a target structure, a screening method, a screening program, and a screening device which enable efficient screening of a pharmaceutical candidate compound using a feature quantity, and a compound creating method, a compound creating program, and a compound creating device which enable efficient creation of a three-dimensional structure of a pharmaceutical candidate compound using a feature quantity. Since the chemical properties of the target structures are exhibited as the result of an interaction between the target structure and a probe in the periphery thereof, the fact that the degree of accumulation (feature quantity) of probes is similar between target structures indicates that the chemical properties of the target structures are similar. Therefore, the feature quantity accurately showing the chemical properties of the target structure can be calculated using the feature quantity calculating method according to one aspect of the present invention.
Inventors:
Kyosuke Tsumura
Ohira
Atsushi Nakabayashi
Mizuki Takei
Ohira
Atsushi Nakabayashi
Mizuki Takei
Application Number:
JP2019549195A
Publication Date:
February 10, 2021
Filing Date:
October 03, 2018
Export Citation:
Assignee:
FUJIFILM Corporation
International Classes:
G16C20/64
Domestic Patent References:
| JP2004287812A | ||||
| JP2007299125A |
Foreign References:
| WO2005103994A1 | ||||
| US20120232856 |
Attorney, Agent or Firm:
Kenzo Matsuura
Kazuki Ohara
Kiyoshi Matsumura
Norimasa Matsuura
Kazuki Ohara
Kiyoshi Matsumura
Norimasa Matsuura