公开(公告)号：US20250157588A1

公开(公告)日：2025-05-15

申请号：US18838368

申请日：2023-02-17

Applicant: BASF SE

Inventor： Volker SETTELS ,  Jessica Eleanor BEAN ,  Andreas BUECHSE ,  Ning WANG ,  Sandra GONZALEZ MALDONADO ,  Glauco BATTAGLIARIN ,  Michael Bernhard SCHICK ,  Andreas KUENKEL

IPC: G16C20/10 ,  G06F30/27 ,  G06F119/04 ,  G16C20/70 ,  G16C60/00

Abstract: The invention refers to a method for determining a synthesis specification comprising a target biodegradability. A target biodegradability is provided indicative of a biodegradation characteristic of a polymer. A digital representation of a potential target synthesis specification is provided indicative of physicochemical characteristics of the polymer. A habitat is provided indicative of habitat descriptor values of habitat descriptors. A model is provided based on the habitat that is adapted to determine the biodegradability of a polymer in the habitat. The biodegradability of the potential target polymer is determined based on the provided model and the digital representation. Then the determined biodegradability is compared with the target biodegradability and either i) the potential target polymer is determined as the target polymer, or ii) a new potential target synthesis specification of a potential target polymer is provided and the determination of the biodegradability is repeated utilizing the new potential target synthesis specification.