Abstract: 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.

Abstract: 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.

Abstract: 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.

Abstract: 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.

Abstract: 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.

Abstract: 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.

Abstract: 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.

Abstract: 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.