Abstract: The present invention is directed to a method of species identification and quality detection of liquid-like samples based on nuclear magnetic resonance technology. In this invention, a two-dimensional relaxation signal containing the 1H T1 and T2 relaxation properties of liquid-like samples is obtained by applying a composite pulse sequence to samples, and from this a fingerprint spectrum is established. The fingerprint spectrum can be associated with the essential characteristics of the tested sample, thus can be used to distinguish a specific liquid-like sample from the others.

Abstract: Improved systems and methods for laboratory instrument calibration. A laboratory instrument retrieves a number of sets of past quality control parameters from a data structure. Each set includes a recovered value and a timestamp. The recovered value is equal to an output value adjusted by an initial calibration factor. The laboratory instrument determines that the number of sets is greater than a threshold and that each of the past quality control parameters has a timestamp that is within a time threshold. The laboratory instrument computes an updated calibration factor such that when the updated calibration factor is applied to a representative value of the recovered values, the representative value equals the expected recovered value. The instrument updates the data structure with the calibration factor such that the calibration factor is used in subsequent testing of patient specimens.

Abstract: An optical detection assembly for monitoring a biological fluid in a vessel includes two fluid-adjustment structures, which are spaced apart and configured to receive at least a portion of a biological fluid-containing vessel therebetween. A light source (which may be associated with one of the fluid-adjustment structures) is configured to emit light through a thickness of the biological fluid in the vessel, while a light detector (which may be associated with the other one of the fluid-adjustment structures) is configured to receive at least a portion of the light from the light source after it has passed through the biological fluid in the vessel. At least a portion of at least one of the fluid-adjustment structures is configured to move with respect to at least a portion of the other one so as to change the thickness of the biological fluid in the monitored portion of the vessel.

Abstract: A gas sensor includes a gas detecting element that includes a first electrode, a metal oxide layer, and a second electrode; and a first insulating film that has an opening allowing the second electrode to be partially exposed therethrough and covers the first electrode, the metal oxide layer, and another part of the second electrode. The metal oxide layer has a characteristic where its resistance value changes as the second electrode makes contact with gas molecules including hydrogen atoms. A first step is provided at a portion lying on an interface between the metal oxide layer and the second electrode and located within the opening as viewed in plan view. A local region is provided in the metal oxide layer and near the first step. A degree of oxygen deficiency of the local region is greater than a degree of oxygen deficiency of other regions in the metal oxide layer.

Abstract: This invention relates to graphical user-interactive analysis of data, including in particular, mass spectrographic data analysis, as well as methods and software for generating and using such. One aspect provides user-customizable reports, including methods and apparatuses for generating customizable pivot tables and graphs specific to mass spectrographic data.

Abstract: A gas leak detection system that combines sensor units having an array of sensors that detect natural gas and the volatile organic compounds and variable atmospheric conditions that confound existing gas leak detection methods, a specially designed sensor housing that limits the variability of those atmospheric conditions, and a machine learning-enabled process that uses the wide array of sensor data to differentiate between natural gas leaks and other confounding factors. Multiple low-cost sensor units can be used to monitor gas concentrations at multiple locations across a site (e.g., a well pad or other oil or natural gas facility), enabling the gas leak detection system to model gas leak emission rates in two- or three-dimensional space to reveal the most likely origin of the gas leak.

Abstract: A data analysis system includes a gas measuring device (2), providing current data and/or historical data, which are stored in a memory (3), and a data processing unit (1). The data includes information on a gas measuring device time of data acquisition. The device transmits data to an interface configured to receive the data and to feed data to the data processing unit and/or to an additional memory (5). A data identification unit (6) is configured to add a specific identifier to the data and add a piece of information on a system time during the data transmission and/or the gas measuring device time during the data transmission. The data processing unit is configured to process the data provided by the gas measuring device and/or by the additional memory such that the system time and the gas measuring device time are taken into consideration.

Abstract: A gas leak detection system that combines sensor units having an array of sensors that detect natural gas and the volatile organic compounds and variable atmospheric conditions that confound existing gas leak detection methods, a specially designed sensor housing that limits the variability of those atmospheric conditions, and a machine learning-enabled process that uses the wide array of sensor data to differentiate between natural gas leaks and other confounding factors. Multiple low-cost sensor units can be used to monitor gas concentrations at multiple locations across a site (e.g., a well pad or other oil or natural gas facility), enabling the gas leak detection system to model gas leak emission rates in two- or three-dimensional space to reveal the most likely origin of the gas leak.

Abstract: A method for recording mail screening process includes receiving, by a processor of a recording device, a first image of a mail item placed into an inspection zone of a mail screening device from a first image sensor of the mail screening device. A video stream capturing screening of the mail item is received by the processor of the recording device from a second image sensor of the mail screening device. The first image of the mail item and the video stream of the mail item are analyzed by the recording device to determine if the mail item contains a security threat. A notification is generated, by the processor of the recording device, in response to determining that the mail item contains the security threat.

Abstract: Provided is a viscoelasticity measuring method and a viscoelasticity measuring device which reduce the number of measurement points and simplify a device design. In order to achieve the object described above, in a viscoelasticity measuring method, a vibrator is immersed in a measurement liquid, a drive signal for driving the vibrator at a resonance frequency (f00) of the vibrator in the air is output, vibration of the vibrator is detected by a detection sensor, and a signal phase delay (?) of a sensor output signal of the detection sensor with respect to the drive signal is measured.

Abstract: A computational method for training a neural network force field (NNFF) configured to simulate molecular and/or atomic motion within a material system. The method includes the step of receiving molecular structure data of a molecule in the material system. The method also includes optimizing a geometry of the molecule using the molecular structure data and a density functional theory (DFT) simulation to obtain DFT optimized geometry data. The method further includes optimizing the geometry of the molecule using the molecular structure data and a classical force field (FF) simulation to obtain FF optimized geometry data. The method also includes outputting NNFF training data comprised of the DFT optimized geometry data and the FF optimized geometry data. The NNFF training data is configured to train an NNFF for simulating molecular and/or atomic molecular and/or atomic motion within the material system.

Abstract: An animal-tissue analysis and communication system produces a quantitative-diagnostic indicator for animal-tissue analyzed by the system. The system includes an animal-tissue-analyzer subsystem with at least one animal-tissue analyzer constructed to analyze animal tissue and to produce an quantitative-diagnostic indicator. The system also includes a two-way communication subsystem constructed to allow the animal-tissue-analyzer subsystem to send and receive information relevant to the quantitative-diagnostic indicator. The animal-tissue-analyzer subsystem includes at least one tissue diffractometer operatively coupled to a computer database over a network, and is configured for acquisition and transfer of animal-tissue data, and transfer to the computer database over the network.

Abstract: The systems and methods disclosed herein provide for the efficient generation of fine bubbles. In particular, systems and methods for use in bioreactors are disclosed herein providing a superior means to produce useful fermentation products by the biological fermentation of fine bubble waste substrates injected into a liquid broth containing a microorganism culture.

Abstract: A chemical product formulation system automatically generates seed formulae from historic experiments data for the synthesis of a chemical product. Independent and dependent features are identified from the historic experiments data and feature importance scores are calculated using a supervised machine learning (ML) model. The feature importance scores are used to build data structures from which analytical rules are extracted. The analytical rules are further processed to derive the seed formulae which are user-editable. The intermediate formulae generated via user edits of the seed formulae are further validated and approved in order to be used as the final formulae which are employed for the synthesis of the chemical product.

Abstract: An apparatus for estimating body water status includes a spectrometer having a light source configured to emit light onto an object, and a detector configured to measure a near-infrared (NIR) absorption spectrum by detecting light scattered or reflected from the object; and a processor configured to estimate an albumin concentration in the object based on the measured NIR absorption spectrum, and to estimate a body water index based on the estimated albumin concentration by using a body water index estimation model that represents a relationship between a change in the albumin concentration and a change in an amount of body water present in the object.

Abstract: In one illustrative configuration, a method of locating an emission source of a target substance at a site is disclosed. The method may include obtaining predicted substance concentrations of the target substance from a prediction model to generate a mapping of a weighted mean of the plurality of the predicted substance concentrations grouped in a predetermined number of feature groups. A simulated plume model is generated for each emission source present at the site to calculate representative circular normal distributions for each air quality monitor. By performing an analysis of the plurality of representative circular normal distributions in relation to the mapping, a target emission source is identified.

Abstract: Provided herein are methods for generating a solid antigen/carrier protein gel for immunohistochemistry (IHC) staining, as well as gels, kits and methods of use thereto. In particular, the methods, gels and kits provided herein include a purified antigen such as a polypeptide antigen, and a carrier protein such as a serum albumin protein, an egg white protein or mixture of egg white proteins, gelatin, or poly-lysine. Examples are provided in which the purified antigen is cross-linked to the carrier protein in the solid antigen/carrier protein gel.

Abstract: A method of predictive monitoring of a variable of a medium located in a container of a facility comprises steps of continuously recording data comprising measured values, based on training data determining a classification method capable of identifying data sets that have each been measured during one of the specific operation phases, performing the classification method and based on the data sets identified by the classification method determining a time series of compliancy indicators indicative of a degree of compliancy of at least one property of the characteristic of the measured values to a corresponding reference property of the reference characteristic. Based on the time series at least once determining a time remaining until the degree of compliancy indicated by compliancy indicators will drop below a predetermined minimum degree of compliancy; and providing an output informing about the remaining time.

Abstract: In a mass spectrometer employing laser ionization to ionize a sample, a known sample is irradiated with laser light multiple times, and multiple sets of profile data are acquired each of which is a spectrum showing the relationship between the m/z values and intensities of ions generated from the known sample by one laser irradiation (Step S11). Those sets of profile data are sorted into groups so that one or more sets of profile data are included in each group (Step S12). For each group, a peak list is created which describes the m/z value and intensity of each peak originating from the known sample based on the one or more sets of profile data included in the group (Step S13). A discriminant model for discriminating an unknown sample is created using the peak lists of the plurality of groups and information concerning the kind of the known sample as training data.

Abstract: A quantitative source apportionment method based on nontarget high-resolution mass spectrometry (HRMS) data of pollution sources and pollution receptors includes: acquiring samples of pollution sources and receptors, pre-processing samples to extract trace organic pollutants; acquiring chromatography-HRMS nontarget data; pre-processing raw data to obtain a HRMS dataset including a mass-to-charge ratio, a retention time, and a peak area; determining a source-sink relationship based on positions of pollution sources and receptors; constructing an input matrix by combining the HRMS dataset and using each sink as a group; adopting an expectation-maximization method or a Bayesian method to calculate contribution of each source based on a standardized input matrix. Beneficial effects at least include the follows.

Abstract: A system used to implement the method of exchanging information through a wireless brain-computer interface includes a specified brain and a quantum supercomputer. The quantum supercomputer is initially used to detect a plurality of compositional particles within the specified brain. A quantum entanglement is then induced in between each compositional particle and the quantum supercomputer. The quantum supercomputer is subsequently used to generate an eigenmatrix of the specified brain with the quantum supercomputer, wherein the eigenmatrix is a representation of each compositional particle. The method concludes by enabling two-way communication between the specified brain and the quantum supercomputer by modifying the eigenmatrix.

Abstract: An online agricultural system manages and optimizes interactions of entities within the system to enable the execution of transaction and the transportation of crop products. The online agricultural system accesses historic and environmental data describing factors that may impact crop product transactions and/or transportation to determine market prices for crop products and crop product transportation. Responsive to receiving a request from an entity, the online agricultural system determines an optimal transaction for the entity, such as a price for selling a crop product, an available crop product for purchase, or a transportation opportunity to transport a crop product.

Abstract: A method of indicating a characteristic of a soil sample of a field includes measuring a co-factor in the soil sample and using the co-factor to place the soil sample in a soil sample group. The characteristic of the soil sample is measured and then is scaled based on the soil sample group. The scaled measure is displayed to better represent the characteristic of the soil sample relative to soil samples of the sample group.

Abstract: An information handling system keyboard backlight illuminates with a single mini-LED disposed under each of plural keyboard keys and having a penta directional illumination that illuminates directly at the key and coplanar a light guide material around the perimeter of the mini-LED. The light guide material in cooperation with a reflector below and a mask above provides indirect illumination at the periphery of the key for a more uniform key illumination. A substrate carried with circuits below the mini-LED powers the mini-LED so that a more bulky flexible printed circuit is not needed.

Abstract: In one illustrative configuration, a method of locating an emission source of a target substance at a site is disclosed. The method may include obtaining predicted substance concentrations of the target substance from a prediction model to generate a mapping of a weighted mean of the plurality of the predicted substance concentrations grouped in a predetermined number of feature groups. A simulated plume model is generated for each emission source present at the site to calculate representative circular normal distributions for each air quality monitor. By performing an analysis of the plurality of representative circular normal distributions in relation to the mapping, a target emission source is identified.

Abstract: In one illustrative configuration, a method of locating an emission source of a target substance at a site is disclosed. The method may include obtaining predicted substance concentrations of the target substance from a prediction model to generate a mapping of a weighted mean of the plurality of the predicted substance concentrations grouped in a predetermined number of feature groups. A simulated plume model is generated for each emission source present at the site to calculate representative circular normal distributions for each air quality monitor. By performing an analysis of the plurality of representative circular normal distributions in relation to the mapping, a target emission source is identified.

Abstract: An apparatus is provided. The apparatus includes a memory, a second type spectrum measurer, and a processor. The memory stores an individualized blood sugar estimation model. The second type spectrum measurer measures second type spectrum data for a skin of a user. The processor calculates blood sugar of the user based on the measured second type spectrum data and the individualized blood sugar model. The blood sugar model is generated based on blood sugar profile data of the user calculated based on a first type spectrum-blood sugar profile relationship model and training second type spectrum data for the skin of the user.

Abstract: A method for operating a laboratory system comprising instruments for processing samples and a control unit connected by a communication network is presented. The method comprises receiving and identifying a biological sample and retrieving an order list from a database. The list comprises a plurality of targets defining one or more processing steps to be carried out on the biological sample by one or more of the laboratory instruments. The method also comprises selecting a workflow strategy and retrieving workflow acceptance criterion corresponding to the workflow strategy. The control unit determines a sample workflow for processing the sample based on the workflow strategy and determines whether the sample workflow satisfies the workflow acceptance criterion. If the sample workflow does not satisfy the workflow acceptance criterion, workflow strategy and the workflow acceptance criterion is refined and the sample workflow is determined again until it satisfies the workflow acceptance criterion.

Abstract: A method of associating data from a plurality of databases is disclosed. The method comprises accessing a first database comprising a first dataset and a second database comprising a second dataset. The method further comprises identifying a first set of expressions and a second set of expressions corresponding to the first dataset and the second dataset, respectively. The method further comprises determining a first set of clusters and a second set of clusters corresponding to the first database and the second database, respectively. Furthermore, the method comprises creating a relational database based on a set of relationships and a mapping function determined based on the first set of clusters and the second set of clusters.

Abstract: A calibration standard for determining an intensity decay related to an evanescent field generated close to the interface between a sample to be tested and a substrate on which the sample is to be deposited, preparation and analysis methods and use thereof.

Abstract: A method of evaluating microwave characteristics includes the steps of: (A) measuring thermal diffusion features and microwave characteristics of at least three mode samples to obtain at least three data points, wherein the mode samples include identical constituents but at different ratios thereof; (B) obtaining a mathematical relation between the data points by linear regression; (C) measuring a thermal diffusion feature of a sample under test, wherein the sample under test and the mode samples include identical constituents; and (D) substituting the thermal diffusion feature of the sample under test into the mathematical relation to evaluate a microwave characteristic of the sample under test. The method is applicable to a ceramic material to evaluate microwave characteristics of the ceramic material.

Abstract: Disclosed herein is a method for verifying the primary structure of a protein through comparative analyses between ion clusters observed in mass spectra and a series of simulated ion clusters deduced from its putative chemical formula. The method comprises the steps of: preparing a protein sample for mass spectrometric analyses; collecting mass spectra of the protein sample; obtaining master ion cluster from a plurality of ion clusters in the mass spectra; producing a series of simulated ion clusters according to the chemical formula of the protein; finding the best fit for the master ion cluster among the series of simulated ion clusters; and verifying if said best-fit simulated ion cluster corresponds to the chemical formula of the protein.

Abstract: Embodiments of a method and/or system, such as for characterizing at least one microorganism-related condition, can include: determining a set of associations (e.g., positive associations such as positive correlations, negative associations such as negative correlations, non-associations such as no correlation or minimal correlation, etc.) between a set of microorganism taxa and at least one microorganism-related condition; determining a set of reference features (e.g., reference abundance ranges, etc.) for the set of microorganism taxa; and determining one or more significance index metrics based on the set of associations and the set of reference features.

Abstract: A method for obtaining a near-infrared spectroscopy (fNIRS) cerebral signal in a subject includes: placing a near-infrared emitter and respective proximal and distal near-infrared detectors on a skin of a head of a subject; during a baseline recording stage with the subject in resting-state, record near-infrared signals, the recorded signals including a baseline deep-signal and a baseline shallow-signal; calculate a scaling factor between amplitudes of the baseline deep-signal and the baseline shallow-signal at a given task-frequency; with the subject undergoing a cyclic cerebral stimulation at the task-frequency during a stimulation recording stage, record near-infrared signals, the recorded signals comprising a shallow-signal and a deep-signal; and applying the scaling factor to the shallow-signal, calculating the cerebral signal at the task-frequency as a difference between the deep-signal and the scaled shallow-signal, at the task-frequency.

Abstract: A method for producing an experimental output satisfying an objective includes conducting an experimental execution process including applying a selection criterion to select an approach to determining a set of parameters for a set of experiments, and determining a first set of parameters for a first experiment according to the selected approach based on one or more of (i) a predicted relationship between a set of parameters and a characteristic of a corresponding experimental output, (ii) the measured characteristic of a second experimental output from a second experiment executed according to a second set of parameters, (iii) the objective, and (iv) a parameter selection rule.

Abstract: The present invention relates to a method for identifying a chemical structure of a wide variety of low molecular weight compounds using mass-to-charge ratio and collision cross section of fragment ions of an analyte compound. The analyte compound is ionized and fragmented, and the fragment ions are measured by a mass spectrometer with an ion mobility spectrometry measurement device. According to the present method, it does not depend on any compound class-specific characteristics or structural features, therefore enabling determinations of any classes of low molecular weight compounds, which does not limit to a specific compound class. The present invention comprises three methods which share a common data structure and s data processing method.

Abstract: Techniques and apparatus for analytical instrument management and information assessment processes are described. In one embodiment, for example, an apparatus may include at least one memory and logic coupled to the at least one memory. The logic may be configured to perform a test plan on at least one rubber material analytical instrument via accessing a test plan comprising at least one step, generating test plan results responsive to performing the test plan on the at least one rubber material analytical instrument, analyzing the test plan results, and presenting the test plan results on a plurality of graphical user interface (GUI) objects. Other embodiments are described.

Abstract: In a scenario where a laboratory is required to perform a plurality of tests on biological samples from a plurality of tubes in a manner that satisfies certain constraints, it is possible that the laboratory could handle the samples and assign them to machines in a manner which ensures that the relevant constraints are met. This could include using matrices and optimization functions to represent tubes, tests, machines and prescriptions, and could also include dynamically determining whether and how to aliquot the samples so as to meet the constraints given the conditions under which the samples would be processed.

Abstract: The present invention relates to a matrix-assisted laser desorption ionization mass spectrometry method and, specifically, a mass spectrometry method according to the present invention comprises the steps of: acquiring a mass spectrum of an analyte by performing matrix-assisted laser desorption ionization of the analyte, wherein a detection spectrum, which is the mass spectrum of the analyte, is acquired using each of two or more matrixes different from one another; and removing, from each detection spectrum, a peak of a corresponding matrix to obtain a matrix-removed spectrum, and then acquiring a corrected mass spectrum of the analyte on the basis of a matrix-removed spectrum for each of different matrixes.

Abstract: The invention relates to a sensor (1) for detecting environmental parameters, comprising a transmission device (3) by means of which an output signal of the sensor (1) can be emitted, and a correction device (4) by means of which the sensor measurement value can be corrected for the emission of a correct output signal, which sensor is to be easy to produce, and wherein only a small output is to be required for a method for calibrating a sensor of this type. According to the invention, the sensor is calibrated by means of the correction device thereof, on the basis of cloud-based data.

Abstract: A gas detection device includes a gas sensor and a drive circuit. The drive circuit includes a measurement circuit, a power supply circuit, and a control circuit. The gas sensor includes a first electrode, a second electrode, a metal-oxide layer disposed between the first electrode and the second electrode, and an insulating film that covers the first electrode, the second electrode, and the metal-oxide layer, and has an opening that exposes part of a main surface of the second electrode. A resistance value of the metal-oxide layer decreases when gas containing hydrogen atoms contact the second electrode. When the resistance value of the metal-oxide layer falls outside a predetermined range, the drive circuit applies a predetermined voltage between the first electrode and the second electrode to restore the resistance value of the metal-oxide layer back into the predetermined range.

Abstract: Methods and systems for selecting a set of fast computable functions to assess core properties of entities are disclosed. A method includes: receiving a request to select a set of fast computable functions to determine core properties of an entity; determining, for each of a plurality of fast computable function nodes in a directed graph, a set of core property nodes in the directed graph that are connected to the fast computable function node; adding, to a solution set, a fast computable function node that is connected to a highest number of core property nodes that are currently unconnected to nodes in the solution set; repeating the adding until each of the core property nodes is connected to at least one of the nodes in the solution set; and outputting the fast computable function nodes in the solution set in response to the request.

Abstract: A process for controlled heating of a sensor of an aftertreatment system comprising accessing several parameters, including an exhaust mass flow, an outlet temperature, an ambient air temperature, and an ambient air velocity, calculating a temperature of the sensor based on a thermal model and the accessed parameters, comparing the calculated temperature to a threshold temperature, and activating a controlled heating process for the sensor responsive to the calculated temperature being below the threshold temperature. The controlled heating process can include activating a heater to heat the sensor.

Abstract: The present disclosure provides methods of identifying or certifying an animal that consumed a traceable diet comprising a C1 metabolizing microorganism.

Abstract: A measurement data processing device for graphically displaying measurement data for a plurality of target compounds and for performing quantitative determination for the target compounds is provided. The device includes a display section 7, a measurement data input receiver 43 for receiving an input of measurement data, a screen-display numerical data creator 44 for performing a previously determined process on the measurement data to calculate a quantitative value and create numerical data for screen display, a screen-display graphical data creator 46 for performing a previously determined process on the measurement data for the target compounds to create graphical data for screen display after the numerical data for screen display have been created for all target compounds, and a display processor 48 for displaying, in the display section, the numerical data for screen display and the graphical data for screen display in a form that depends on a user operation.

Abstract: The embodiment of the present application relates to the field of substance ingredient detection, for example, relates to a substance ingredient detection method and apparatus, and a detection device. The method includes: obtaining spectral information of a substance to be detected; and matching the spectral information with a pre-obtained prediction model based on a machine learning algorithm to obtain the ingredients of the substance to be detected. In the embodiment of the present application, the spectral information of the substance to be detected is obtained, and then the spectral information is matched with the prediction model based on the machine learning algorithm to obtain the prediction result of the ingredients of the substance to be detected. In the embodiment of the present application, the machine learning algorithm is combined with spectral recognition, the traditional algorithm is abandoned, the recognition speed is improved, and the substance detection efficiency is greatly improved.

Abstract: A sensor apparatus for photon sensing comprises a plurality of pixel devices, each pixel device comprising: a plurality of photon detectors arranged to produce photon detection signals in response to photon detection events; a processing resource configured to process photon detection signals to produce photon detection event signals, wherein each photon detection event signal comprises time data representative of a photon detection time at which a respective photon detection event occurred; a pixel memory; a further processing resource configured to process the photon detection event signals to obtain detection data representative of photon detection events over a detection period; a communication resource for transmitting the detection data from the pixel device, wherein the processing of the photon detection event signals is such that storing and/or transmission of the detection data uses less storage capacity and/or communication capacity than would be used by storage and/or transmission of the photon det

Abstract: A method and system for harvesting molecular structures from non-editable documents is disclosed herein. A non-editable storage document is fed by a feeder which is received by a receiver. The molecular and non-molecular data contained in the non-editable storage document is recognized. The three-dimensional coordinates of the molecular data is separated using a pattern recognition. The molecular coordinates are encoded by a pattern sequence. A bond matrix data of the encoded data is generated. Subsequently the bond matrix data for accuracy is verified by comparing with a stored standardized data into a library.

Abstract: Described herein are systems and methods for designing and testing custom biologic molecules in silico which are useful, for example, for the treatment, prevention, and diagnosis of disease. In particular, in certain embodiments, the biomolecule engineering technologies described herein employ artificial intelligence (AI) software modules to accurately predict performance of candidate biomolecules and/or portions thereof with respect to particular design criteria. In certain embodiments, the AI-powered modules described herein determine performance scores with respect to design criteria such as binding to a particular target. AI-computed performance scores may, for example, be used as objective functions for computer implemented optimization routines that efficiently search a landscape of potential protein backbone orientations and binding interface amino-acid sequences.

Abstract: In a magnetic resonance (MR) method and apparatus for determining an MR image or an MR fat image of an examination subject, first and second MR signal datasets are provided to a computer, respectively obtained at first and second echo times. The computer defines a signal model and determines possible solution candidates for values of parameters of the signal model for each pixel of the two MR signal datasets so that the MR signals thereof are matched as well as possible. A correct solution is selected from the solution candidates, using a calculated phase map, based on predetermined assumptions regarding the calculated phase map. The MR water image or the MR fat image is determined using the correct solution.