Developing new polymers with target properties
By employing kinetic representations and data-driven models to map chemical reactions to target properties, the method addresses the inefficiencies of traditional polymer development, achieving accurate and resource-efficient production of tailored polymers.
WO2026008500A1PCT designated stage Publication Date: 2026-01-08BASF SE
Patent Information
- Application Number
- PCT/EP2025/068325
- Authority / Receiving Office
- WO · WO
- Patent Type
- Applications
- Current Assignee / Owner
- Priority Date
- 2024-07-01
- Filing Date
- 2025-06-27
- Publication Date
- 2026-01-08
Smart Images
Figure EP2025068325_08012026_PF_FP_ABST
Abstract
The invention allows for upcycling of chemical products and relates to a method for generating synthesis instructions for producing one or more target product(s) associated with one or more target product properties, the method comprising: providing the one or more target product properties, providing a digital representation of a chemical structure of the one or more educt(s), determining a digital representation of a chemical structure of one or more product(s) from at least a part of the digital representation of the chemical structure of the one or more educt(s) by determining that the one or more product(s) are formed in one or more chemical reaction(s) of at least a part of the one or more educt(s) associated with a one or more formation score(s), determining if the one or more product(s) are the one or more target product(s) based on the one or more formation score(s) and determining if one or more product properties associated with the one or more product(s) correspond to the one or more target product properties, providing the digital representation of the chemical structure of the one or more product(s) in response to determining that the one or more product properties correspond the one or more target product(s) and optionally providing the digital representation of the one or more educt(s) associated with the one or more target product(s).
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Citation Information
Patent Citations
Method for determining a target polymer comprising a target biodegradability
WO2023156609A1
Methods and apparatuses for characterizing chemical substances, measuring physicochemical properties and generating control data for synthesizing chemical substances
WO2023198927A1
Method for determining a target synthesis specification
WO2023214053A1