International Business Machines Corporation

Leland Stanford Junior University

Tim Erdmann

James L Hedrick

Nathaniel H Park

Pedro Luis Arrechea

Victoria A Piunova

Robert M Waymouth

Dmitry Zubarev

Binhong Lin

Vince Evan Pane

Caleb Nathaniel Jadrich

A method for receiving a textual description of a first chemical structure; applying a first machine learning model to the textual description to generate a first data structure indicating components of the first chemical structure and bonds between the components of the first chemical structure; applying a second machine learning model to the first data structure to generate a first description of the first chemical structure using a domain specific language; and querying a database using the first description such that the database outputs a second description of a second chemical structure using the domain specific language stored in the database.

Creating domain-specific language representations of chemical structures

A method for synthesizing cyclic carbonate monomers using carbon dioxide (CO) is provided. The method also includes combining reagents to synthesize the cyclic carbonate monomer, the reagents including a substrate that is a 1,X-diol, where X is between 2 and 5, a base that is a tertiary amine, a promoter that is a multidentate, bis-tertiary amine base where nitrogens are separated by 2 to 4 carbon atoms, a solvent, and CO.

AI assisted cyclic carbonate monomer synthesis

Techniques regarding catalyzing one or more ring-opening polymerizations within one or more flow reactors using one or more organometallic bases are provided. For example, one or more embodiments described herein can comprise a method, which can include forming a polymer, via a ring-opening polymerization within a flow reactor, from a cyclic monomer in the presence of an organometallic base and a primary alcohol initiator.

Polymer technology for use in flow reactors

Techniques regarding the synthesis of cyclic carbonate monomers are provided. For example, one or more embodiments described herein can comprise a method, which can include cyclizing a functionalized diol monomer with N,N'-carbonyldiimidazole, wherein the cyclizing produces a cyclic carbonate monomer and an imidazole carbamate. The method can also include activating the imidazole carbamate with an acid, wherein the activating promotes cyclization of the imidazole carbamate into the cyclic carbonate monomer.

Synthesis of cyclic carbonate monomers

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San Jose, CA, United States of America

Tim Erdmann