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1.发明申请公开(公告)号：US20220058337A1
公开(公告)日：2022-02-24
申请号：US16995853
申请日：2020-08-18
发明人： Leonidas Georgopoulos , Joppe Geluykens , Alain Claude Vaucher , Philippe Schwaller , Aleksandros Sobczyk , Vishnu Harikrishnan Nair , Teodoro Laino
IPC分类号： G06F40/205 , G06F40/56 , G06K9/62 , G06N20/00
摘要： A computer-implemented method for generating an organic synthesis procedure from a simplified molecular-input line-entry system (SMILES) string may be provided. The method includes receiving a plurality of SMILES strings describing a desired chemical product and required reactants, and predicting procedure steps for an organic synthesis procedure for producing the desired chemical product by a deep machine-learning model system trained with sets of SMILES strings describing respective desired chemical products, reactants and related procedure steps as training data. The sets can be extracted from a corpus of associated chemical documents, and the predicted procedure steps are human readable. The method includes further receiving a modification signal for a modification to the predicting procedure steps, storing the plurality of received SMILES strings, the predicted procedure steps and the modification of the predicting procedure steps.
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公开(公告)号：US10824788B2
公开(公告)日：2020-11-03
申请号：US16270798
申请日：2019-02-08
发明人： Peter Willem Jan Staar , Michele Dolfi , Christoph Auer , Aleksandros Sobczyk , Konstantinos Bekas
IPC分类号： G06F17/21 , G06F40/103 , G06N20/00 , G06F40/20 , G06F40/123
摘要： A method of collecting training data of a document component may be provided. The documents have a structure and are coded in the typesetting language TeX. The method comprise receiving a TeX source file, compiling it into a PDF file and a related sync file, analyzing the PDF file, thereby determining a non-text-only document component. The method comprises also determining first coordinates of the non-text-only document component and a corresponding page number, determining a typesetting command relating to a non-text-only document component and determining second coordinates of a bounding box and a corresponding page number from the sync file, determining text elements in the non-text-only document component of the PDF file for which the first coordinates and the second coordinates overlap, and combining the determined text elements and linking them to a type of a non-text document component determined in the non-text-only document component in the TeX source file.
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公开(公告)号：US11854670B2
公开(公告)日：2023-12-26
申请号：US16995858
申请日：2020-08-18
发明人： Leonidas Georgopoulos , Aleksandros Sobczyk , Alain Claude Vaucher , Philippe Schwaller , Vishnu Harikrishnan Nair , Joppe Geluykens , Teodoro Laino
CPC分类号： G16C20/10 , B01J19/0033 , B01J19/0046 , G16C20/90 , B01J2219/00038 , B01J2219/00195 , B01J2219/00695
摘要： A method for executing multiple chemical experiments in parallel may be provided. The method comprises receiving a list of actions to be performed for synthesizing a chemical product. Thereby, the actions correspond to at least two chemical partial reactions and the list comprises a delimiter symbol separating two chemical partial reactions, determining identical chemical partial reactions, and building a reaction commonality tree (RCT) of the chemical reactions. Furthermore, the method comprises executing a plurality of the identical chemical partial reactions independent of a sequence of chemical partial reactions of the reaction commonality tree only once. Each of the identical chemical partial reactions is executed in a different chemical reactor and each resulting intermediate product has a quantity of the sum of the related identical chemical partial reactions. The method also comprises, storing the intermediate chemical products in a separate container, and executing remaining chemical partial reactions according to the RCT.
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公开(公告)号：US20200257755A1
公开(公告)日：2020-08-13
申请号：US16270798
申请日：2019-02-08
发明人： Peter Willem Jan Staar , Michele Dolfi , Christoph Auer , Aleksandros Sobczyk , Konstantinos Bekas
摘要： A method of collecting training data of a document component may be provided. The documents have a structure and are coded in the typesetting language TeX. The method comprise receiving a TeX source file, compiling it into a PDF file and a related sync file, analyzing the PDF file, thereby determining a non-text-only document component. The method comprises also determining first coordinates of the non-text-only document component and a corresponding page number, determining a typesetting command relating to a non-text-only document component and determining second coordinates of a bounding box and a corresponding page number from the sync file, determining text elements in the non-text-only document component of the PDF file for which the first coordinates and the second coordinates overlap, and combining the determined text elements and linking them to a type of a non-text document component determined in the non-text-only document component in the TeX source file.
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5.发明申请公开(公告)号：US20220059193A1
公开(公告)日：2022-02-24
申请号：US16995862
申请日：2020-08-18
发明人： Leonidas Georgopoulos , Aleksandros Sobczyk , Alain Claude Vaucher , Philippe Schwaller , Joppe Geluykens , Teodoro Laino
摘要： A method for executing multiple chemical programs in parallel in an array of chemical reactors using a single array of substance containers may be provided. The method includes receiving a plurality of chemical programs, building a plurality of records comprising each a chemical program. Thereby, each record includes a key and a data field, wherein the key is indicative of the reactants required for the respective chemical reaction, and wherein the data field includes the chemical program. The method further includes creating an ordered data structure of the data records based on the keys, selecting a next record from the ordered data structure, assigning the selected next record to selected ones of the array of chemical reactors, repeating the steps of selecting and assigning until, as a maximum, each chemical reactor has a defined record assigned to it, and executing the chemical programs according to their defined records in parallel.
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公开(公告)号：US20220059192A1
公开(公告)日：2022-02-24
申请号：US16995858
申请日：2020-08-18
发明人： Leonidas Georgopoulos , Aleksandros Sobczyk , Alain Claude Vaucher , Philippe Schwaller , Vishnu Harikrishnan Nair , Joppe Geluykens , Teodoro Laino
摘要： A method for executing multiple chemical experiments in parallel may be provided. The method comprises receiving a list of actions to be performed for synthesizing a chemical product. Thereby, the actions correspond to at least two chemical partial reactions and the list comprises a delimiter symbol separating two chemical partial reactions, determining identical chemical partial reactions, and building a reaction commonality tree (RCT) of the chemical reactions. Furthermore, the method comprises executing a plurality of the identical chemical partial reactions independent of a sequence of chemical partial reactions of the reaction commonality tree only once. Each of the identical chemical partial reactions is executed in a different chemical reactor and each resulting intermediate product has a quantity of the sum of the related identical chemical partial reactions. The method also comprises, storing the intermediate chemical products in a separate container, and executing remaining chemical partial reactions according to the RCT.
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公开(公告)号：US11086861B2
公开(公告)日：2021-08-10
申请号：US16446809
申请日：2019-06-20
发明人： Peter Willem Jan Staar , Michele Dolfi , Christoph Auer , Leonidas Georgopoulos , Aleksandros Sobczyk , Tim Jan Baccaert , Konstantinos Bekas
IPC分类号： G10L15/22 , G06F16/2452 , G06F40/35 , G06F40/40
摘要： A computer-implemented method for generating ground-truth for natural language querying may include providing a knowledge graph as data model, receiving a natural language query from a user and translating the natural language query into a formal data query. The method can also include visualizing the formal data query to the user and receiving a feedback response from the user. The feedback response can include a verified and/or edited formal data query. The method can also include storing the natural language query and the corresponding feedback response as ground-truth pair. Corresponding system and a related computer program product may be provided.
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