METHOD AND APPARATUS FOR OPTIMIZING SYNTHETIC CONDITIONS FOR GENERATION OF TARGET PRODUCTS

    公开(公告)号:US20230063171A1

    公开(公告)日:2023-03-02

    申请号:US17745374

    申请日:2022-05-16

    Abstract: A method of optimizing synthetic conditions includes receiving a graph-type descriptor comprising at least one of structural information of at least one reactant and structural information of a target product to be synthesized by the reactant; determining combinations of synthetic conditions for generating the target product by applying the graph-type descriptor to a prediction neural network model; selecting at least one initial condition combination from among the combinations based on a first confidence corresponding to a yield of the combinations; updating the prediction neural network model based on a ground-truth yield obtained from a result of an experiment with the initial condition combination; determining a priority of the combinations based on the updated prediction neural network model; and determining subsequent combinations of synthetic conditions based on the determined priority.

    METHOD AND DEVICE FOR ANALYZING INTERACTION NETWORK

    公开(公告)号:US20170099207A1

    公开(公告)日:2017-04-06

    申请号:US15251536

    申请日:2016-08-30

    CPC classification number: H04L43/14 H04L41/0816 H04L41/12

    Abstract: A method for analyzing an interaction network includes: interpreting input data; and determining states of a plurality of nodes described to the input data based on information acquired by the interpretation of the input data, and updating a state of a system expressed as the interaction network based on the states of the nodes, in which at least one piece of information for describing the states of the nodes is arranged in series in the input data.

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