公开(公告)号：US20210225462A1

公开(公告)日：2021-07-22

申请号：US17130659

申请日：2020-12-22

Applicant: EMD Millipore Corporation

Inventor： Karol Molga ,  Piotr Dittwald ,  Bartosz A. Grzybowski

IPC: G16C20/10

Abstract: By keeping track of lists of specific bonds that are to be preserved, a computer program is able to design synthetic routes to create a target compound that avoid that previously published or patented approaches. This may allow the exploration of lower cost or more efficient methods of creating known compounds, or may allow the synthesis of new compunds without the use of patented compunds. Examples of computer-designed syntheses relevant to medicinal chemistry are provided in which the machine avoids “strategic” disconnections common to industrial patents and/or is forced to use different starting materials.