Method for creating physiologically active compounds
AssigneeAkiko Itai
InventorsAkiko Itai, Koichi Shudo
Life of this patent
Estimating the term…
Abstract
A method for creating physiologically active compounds, comprising the following steps: (1) generating a compound database storing molecular structures covering all the combinations of at least one substitution site selected from substitutable sites existing on a basic molecular skeleton and utilizable substituents; and (2) extracting molecular structures satisfying requirements for exhibiting the physiological activity from the compound database.
Claims18
A method for creating physiologically active compounds using computers, comprising:
- (1) generating a compound database storing molecular structures covering all the combinations of one or more substitution sites selected from substitutable sites existing on a basic molecular skeleton and utilizable substituents;
- and
- (2) extracting molecular structures satisfying the requirements for exhibiting the physiological activity from the compound database.
A three-dimensional database used for a method for creating physiologically active compounds by database search methods using computers, which database stores molecular structures covering all the combinations of one or more substitution site selected from all substitutable sites existing on a basic molecular skeleton and utilizable substituents.
Dependencies are inferred from the claim text.