公开(公告)号：US11605025B2

公开(公告)日：2023-03-14

申请号：US16874232

申请日：2020-05-14

Applicant: MSD International GmbH ,  MSD Czech Republic s.r.o.

Inventor： Yingqi Peh ,  Kah Hin Chin ,  Shao Ying Choo ,  Sucitro Dwijayana Sidharta ,  Richard Dobis

IPC: G06N20/00 ,  G06F17/18

Abstract: As a data science project goes into the production stage, model maintenance to maintain model quality and predictive accuracy becomes a concern. Manual model maintenance by data scientists can become a time- and labor-intensive process, especially for large scale data science projects. An early warning system addresses this by performing systematic statistical and algorithmic checks for prediction accuracy, stability, and model assumption validity. A diagnostic report is generated that helps data scientists to assess the health of the model and identify sources of error as needed. Well-performing models can be automatically deployed without further human intervention while poor performing models trigger a warning or alert to the data scientists for further investigation and may be removed from production until the performance issues are addressed.

公开(公告)号：US20240105285A1

公开(公告)日：2024-03-28

申请号：US17954302

申请日：2022-09-27

Applicant: Merck Sharp & Dohme LLC ,  MSD Czech Republic s.r.o.

Inventor： Pavel Vácha ,  Richard Dobis ,  Ondrej Micka ,  Nikita Vostrosablin ,  Martin Spale ,  Josef Navrátil ,  Jaroslav Cerman ,  Brian Lahue ,  Thomas James Struble ,  Zhengwei Peng ,  John Steele Debenham ,  Danny Asher Bitton ,  Petr Mejzlik

IPC: G16C20/10

CPC classification number: G16C20/10

Abstract: A reaction pathfinder system can leverage historical chemical reaction data and determine a synthesis route in a reaction network. The reaction pathfinder system can account for various performance criteria of chemical reactions such as a highest yield for a molecule or a minimal number of reaction steps. A reaction pathfinder system receives a user request for a synthesis route including one of a user-specified molecule or a user-specified reaction. The reaction pathfinder system may then query a reaction network that has various synthesis routes and represents reactions of reactants to produce respective molecules. The reaction network may be composed of molecule nodes and reaction nodes. The reaction pathfinder system determines, using the reaction network, the synthesis route from the synthesis routes to fulfill the user's request.