公开(公告)号：EP4276839A1

公开(公告)日：2023-11-15

申请号：EP21917615.3

申请日：2021-12-07

申请人： FUJIFILM Corporation

发明人： YARIMIZU, Hirokazu ,  HIKIDA, Yasushi

IPC分类号： G16C20/40

摘要： An information processing apparatus includes at least one processor. The processor receives input of partial structure data indicating a partial structure of a chemical substance and a condition regarding an index value indicating performance of the chemical substance; extracts, for each of a plurality of known chemical substances, a known chemical substance including an input partial structure which is a partial structure indicated by the partial structure data and satisfying the condition from a database in which structure data indicating a structure of the chemical substance is recorded; extracts a partial structure other than the input partial structure, which is included in a structure of the extracted known chemical substance as a co-occurrence partial structure; and displays the extracted co-occurrence partial structure.

公开(公告)号：EP2883175B1

公开(公告)日：2023-07-12

申请号：EP13705298.1

申请日：2013-01-28

发明人： CERDA, Blas ,  RAKOV, Vsevolod, Sergey ,  CROWE, Hayley, E.

IPC分类号： G16C20/20 ,  G01N27/62 ,  G16C20/40

公开(公告)号：EP4018271A1

公开(公告)日：2022-06-29

申请号：EP20757315.5

申请日：2020-08-14

申请人： Robert Bosch GmbH

发明人： LINGENFELSER, Dominic ,  LOTTER, Elisabeth

IPC分类号： G05B13/04 ,  G16C20/40

公开(公告)号：EP4425502A1

公开(公告)日：2024-09-04

申请号：EP23823835.6

申请日：2023-06-08

申请人： DIC Corporation

发明人： NISHIYAMA Yutaro ,  IMADA Tomoyuki

IPC分类号： G16C20/40 ,  G06F30/27 ,  G06N20/00 ,  G16C20/70

CPC分类号： G16C20/70 ,  G06F30/27 ,  G16C20/40 ,  G06N20/00

摘要： To improve a technique of searching for a thermosetting epoxy resin composition. A method of searching for a thermosetting epoxy resin composition executed by an information processor, the method including the steps of: training a plurality of predictive models each corresponding to a target variable using actual data related to a thermosetting epoxy resin composition; and searching for a thermosetting epoxy resin composition with a desired balance of physical properties by inverse analysis using the plurality of predictive models, the actual data include a blend raw material and a blend ratio of the thermosetting epoxy resin composition, a polymer composition related to the blend raw material, and a structural formula related to the blend raw material, and the target variable includes tensile strength, fracture toughness, and a glass transition temperature.

公开(公告)号：EP4392978A1

公开(公告)日：2024-07-03

申请号：EP22754664.5

申请日：2022-07-25

申请人： Microsoft Technology Licensing, LLC

发明人： GUO, Zhihui ,  SHARMA, Pramod Kumar ,  DU, Liang ,  ABRAHAM, Robin

IPC分类号： G16C20/70 ,  G06N3/00 ,  G16C20/30 ,  G16C20/40

CPC分类号： G16C20/70 ,  G16C20/30 ,  G16C20/40 ,  G06N3/0455 ,  G06N3/048 ,  G06N3/0895 ,  G06N3/088

公开(公告)号：EP4270400A1

公开(公告)日：2023-11-01

申请号：EP21910122.7

申请日：2021-11-25

申请人： FUJIFILM Corporation

发明人： YARIMIZU, Hirokazu ,  HIKIDA, Yasushi

IPC分类号： G16C20/50 ,  G16C20/40

摘要： An information processing apparatus performs control of displaying a structure of a chemical substance, which is a processing target, and a first index value indicating performance or the structure of the chemical substance on a display device, receives a change operation with respect to the structure of the chemical substance displayed on the display device, and performs control of displaying a structure of the chemical substance after the change operation and a second index value indicating performance or the structure of the chemical substance after the change operation on the display device, and performs, in a case in which a partial structure that contributes to a change in a value from the first index value to the second index value is present in the chemical substance after the change operation, control of highlighting the partial structure.

公开(公告)号：EP4172992A1

公开(公告)日：2023-05-03

申请号：EP21830094.5

申请日：2021-06-23

申请人： SRI International

发明人： BYRNES, John, J. ,  ROHWER, Richard, J. ,  LUEBKE, Kevin, J. ,  MADRID, Peter

IPC分类号： G16C20/30 ,  G16C20/40 ,  G16C20/70 ,  G06N20/00

公开(公告)号：EP4102510A1

公开(公告)日：2022-12-14

申请号：EP22159683.6

申请日：2022-03-02

申请人： FUJITSU LIMITED

发明人： Terashima, Chieko ,  Tanida, Yoshiaki ,  Sato, Hiroyuki

IPC分类号： G16C20/40

摘要： A stable structure search system includes a calculation unit that acquires a plurality of degrees of structure similarity between each of a plurality of kinds of molecules and a first molecule included in a target molecule based on each interaction potential of the plurality of kinds of molecules, acquires a plurality of degrees of charge similarity between each of the plurality of kinds of molecules and the first molecule, and acquires a plurality of total degrees of similarity based on sums of each of the plurality of degrees of structure similarity and each of the plurality of degrees of charge similarity; and an identification unit that determines a second molecule whose total degree of similarly is largest among the plurality of kinds of molecules, acquires energy of a molecular structure of the target molecule based on an interaction potential of the second molecule.

公开(公告)号：EP3982370A1

公开(公告)日：2022-04-13

申请号：EP21188468.9

申请日：2021-07-29

申请人： FUJITSU LIMITED

发明人： Sato, Hiroyuki

IPC分类号： G16C20/40 ,  G16B15/00

摘要： A structure search program configured to search for a structure of a compound in which a plurality of groups is linked, in which a computer performs a process of: determining an objective function including a constraint term which is a term for making a coefficient value to a predetermined value, the coefficient value expressing an inter-group distance with reference a shortest distance among distances between lattice points of a plurality of lattice points in a three-dimensional lattice space, the inter-group distance being a distance between a first group that is arranged at a first lattice point and a second group that is arranged at a second lattice point and is linked to the first group; and creating a three-dimensional structure of the compound by arranging the plurality of groups at lattice points that is a set of the plurality of lattice points based on the objective function.

公开(公告)号：EP3855445A1

公开(公告)日：2021-07-28

申请号：EP20205387.2

申请日：2020-11-03

申请人： FUJITSU LIMITED

发明人： JIPPO, Hideyuki

IPC分类号： G16C20/40

摘要： A similarity calculation device calculates a similarity between a first material and a second material and includes: a creation unit that creates a conflict graph that is a graph that has a plurality of nodes made up of combinations of respective atoms that constitute the first material and respective atoms that constitute the second material, and an edge formed between two nodes among the plurality of nodes, and that has an edge between two nodes when the nodes are compared and are not identical to each other, and has no edge between two nodes when the nodes are compared and are identical to each other; a search unit that searches for a maximum independent set in the conflict graph by executing a ground state search using an annealing method; and a computation unit that computes the similarity between the first material and the second material based on the maximum independent set. The plurality of nodes of the conflict graph is each made up of a combination of two atoms that have an atom type that is same between the first material and the second material and the atom type is subdivided more finely than elemental species.