A drug library management system generates versions of drug library data that can be used by infusion pumps, and version of drug library data that can be used by systems or components in a clinical environment other than infusion pumps. One version of the drug library data may be customized for a particular infusion pump, while another version may be a generalized version that can be used by middleware systems that process messages received from various infusion pumps that are using a different version of the drug library data. The generalized version may be archived separately from a drug library database used by the drug library management system to generate the various versions.

A drug library management system facilitates centralized management of the drug libraries that are used by various infusion pumps, including in clinical environments that have different types and/or versions of infusion pumps. Medications, administration rules, critical care area rules, and the like can be maintained using the drug library management system. The drug library management system can generate and distribute drug library data in pump-specific formats or other customized formats as needed.

A drug library management system facilitates centralized management of the drug libraries that are used by various infusion pumps, including in clinical environments that have different types and/or versions of infusion pumps. Medications, administration rules, critical care area rules, and the like can be maintained using the drug library management system. The drug library management system can generate and distribute drug library data in pump-specific formats or other customized formats as needed.

A method for screening pesticide residues in medicine food homology (MFH) characteristic agricultural products includes step 1, a liquid chromatography-mass spectrometry database of pesticides is constructed, standard solution are prepared for the pesticides and liquid chromatography and mass spectrometry are used to detect the standard solutions; step 2, a sample is processed and then is detected to obtain a liquid chromatography-mass spectrogram; step 3, the liquid chromatography-mass spectrogram obtained from step 2 and liquid chromatography-mass spectrograms in the liquid chromatography-mass spectrometry database obtained from step 1 are compared and analyzed individually. The advances are as follows: a high-resolution rapid method for no less than 300 pesticide residues has been established, the method has high qualitative accuracy, controls the probability of quality accidents to almost zero, and provides reliable technical support for customs supervision of import and export of the MFH agricultural products.

A method for screening pesticide residues in medicine food homology (MFH) characteristic agricultural products includes step 1, a liquid chromatography-mass spectrometry database of pesticides is constructed, standard solution are prepared for the pesticides and liquid chromatography and mass spectrometry are used to detect the standard solutions; step 2, a sample is processed and then is detected to obtain a liquid chromatography-mass spectrogram; step 3, the liquid chromatography-mass spectrogram obtained from step 2 and liquid chromatography-mass spectrograms in the liquid chromatography-mass spectrometry database obtained from step 1 are compared and analyzed individually. The advances are as follows: a high-resolution rapid method for no less than 300 pesticide residues has been established, the method has high qualitative accuracy, controls the probability of quality accidents to almost zero, and provides reliable technical support for customs supervision of import and export of the MFH agricultural products.

Aspects of the present disclosure include methods for identifying a set of fluorophore-biomolecule reagent pairs for characterizing a sample by flow cytometry. Methods according to certain embodiments include calculating a spectral spillover spreading parameter for a plurality of fluorophores, pairing each fluorophore with a biomolecule that is specific for a biomarker of a cell in the sample to generate a plurality of fluorophore-biomolecule reagent pairs, generating an adjusted spillover spreading matrix for the fluorophore-biomolecule reagent pairs based on the spectral spillover spreading parameter of each fluorophore and a biomarker classification parameter and identifying an optimal set of fluorophore-biomolecule reagent pairs based on the calculated spillover spreading values from the adjusted spillover spreading matrix. Systems and non-transitory computer readable storage medium for practicing the subject methods are also provided.

Aspects of the present disclosure include methods for identifying a set of fluorophore-biomolecule reagent pairs for characterizing a sample by flow cytometry. Methods according to certain embodiments include calculating a spectral spillover spreading parameter for a plurality of fluorophores, pairing each fluorophore with a biomolecule that is specific for a biomarker of a cell in the sample to generate a plurality of fluorophore-biomolecule reagent pairs, generating an adjusted spillover spreading matrix for the fluorophore-biomolecule reagent pairs based on the spectral spillover spreading parameter of each fluorophore and a biomarker classification parameter and identifying an optimal set of fluorophore-biomolecule reagent pairs based on the calculated spillover spreading values from the adjusted spillover spreading matrix. Systems and non-transitory computer readable storage medium for practicing the subject methods are also provided.

Disclosed are methods and systems for screening covalent ligand libraries to identify potential covalent inhibitors. The methods and systems may also be used to generate a covalent inhibitor library from natural ligands. These covalent inhibitors bind to the receptor irreversibly after initial reversible binding. The covalent inhibitor identified or designed using the present methods may specifically bind to and covalently modify a receptor.

Methods for identifying fungal species by analysis of fungal membrane lipids, such as glycerophospholipids, sphingolipids and sterols, using mass spectrometry ionization patterns are disclosed.

The disclosure provides methods and systems for identifying a subset of compounds in a plurality of compounds. The identifying includes obtaining, for each compound, a vector including a set of elements, where each element includes a measurement of a different feature of an instance of a cell context upon exposure to the compound. The identifying includes performing the obtaining for a plurality of cell contexts, to obtain a plurality of vectors for each compound across different cell contexts. The identifying includes combining the vectors for each compound to form a combined vector for each compound, thereby forming a plurality of combined vectors representing different compounds. The identifying includes pruning the plurality of compounds to the subset of compounds based on a similarity between respective combined vectors in the plurality of combined vectors corresponding to compounds in the plurality of compounds.