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Toxin and Toxin-Target Database Toxic Exposome Database. University of Alberta: toxins and toxin targets T3D "T3DB". 3,678 UniChem EMBL-EBI pointers to existing chemicals; indexes 41 databases [12] Structure; StdInChI; links to databases automated loads " "Compound Sources Search" ". >2000000 UniProt UniProt Knowledgebase proteins
QS/1 is an American software company which develops management software for pharmacies.It was founded in 1944 and is based in Spartanburg, South Carolina.. In 1977, the company recognized healthcare professionals' need for software and hardware packages designed to help provide more efficient and effective care for customers and pharmacy patients.
MassMatrix is a database search algorithm for tandem mass spectrometric data. It uses a mass accuracy-sensitive, probabilistic scoring model to rank peptide and protein matches. MassWiz Open source: MassWiz is a search algorithm developed at the Institute of Genomics and Integrative Biology that can be used as a Windows command-line tool.
AiZynthFinder predicts synthetic routes to a given target compound, and can be retrained on a users own dataset whether from public or proprietary sources. [2] [3] [4] Manifold - Compound searching and retrosynthesis planning tool freely accessible to academic users, developed by PostEra Archived 2022-01-13 at the Wayback Machine
Cheminformatics toolkits are notable software development kits that allow cheminformaticians to develop custom computer applications for use in virtual screening, chemical database mining, and structure-activity studies. [1] [2] Toolkits are often used for experimentation with new methodologies. Their most important functions deal with the ...
First Databank (FDB) is a major provider of drug and medical device databases that help inform healthcare professionals to make decisions. [1] FDB partners with information system developers to deliver useful medication- and medical device-related information to clinicians, business associates, and patients.
Pharmacy automation involves the mechanical processes of handling and distributing medications. Any pharmacy task may be involved, including counting small objects (e.g., tablets, capsules); measuring and mixing powders and liquids for compounding; tracking and updating customer information in databases (e.g., personally identifiable information (PII), medical history, drug interaction risk ...
Predicting the location in the compound that takes part in the interaction, i.e. the site of metabolism (SOM), Predicting the outcome from the interaction, i.e. the resulting metabolite product. There are several existing tools trying to solve these tasks, e.g. SMARTCyp [ 1 ] and MetaPrint2D [ 2 ] predicts the SOM for chemical compounds.
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