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Departments of Computer Science and Chemistry at Nazarbayev University de novo molecules generated by ML models SMILES, computed properties artificially generated "cheML.io". [3] 2,800,000 ChemDB chemical database small molecules "ChemDB". 5,000,000 ChemExper Chemexper Chemical Directory catalogue chemicals CASno Structure SMILES "ChemExper".
Example of a Markush structure. A Markush structure, Markush group, or a Markush claim is a representation of alternatively useable members. Markush structures are frequently used with chemical structures to indicate a group of related chemical compounds. They are commonly used in chemistry texts and in patent claims.
Example of a Markush structure. The first suggested use for substructure search was in 1957, to reduce the workload of patent examiners. They have to search published literature to decide whether an invention is novel, which for chemical patents often means finding known examples within the generic claims of a Markush structure.
For example, a chemical database might store a molecule with stereochemistry unspecified, whereas a chemical registry system requires the registrar to specify whether the stereo configuration is unknown, a specific (known) mixture, or racemic. Each of these would be considered a different record in a chemical registry system.
A chemical patent, pharmaceutical patent or drug patent is a patent for an invention in the chemical or pharmaceuticals industry.Strictly speaking, in most jurisdictions, there are essentially no differences between the legal requirements to obtain a patent for an invention in the chemical or pharmaceutical fields, in comparison to obtaining a patent in the other fields, such as in the ...
ChemMantis, [14] the Chemistry Markup And Nomenclature Transformation Integrated System uses algorithms to identify and extract chemical names from documents and web pages and converts the chemical names to chemical structures using name-to-structure conversion algorithms and dictionary look-ups in the ChemSpider database. The result is an ...
Reaxys is a web-based tool for the retrieval of information about chemical compounds and data from published literature, including journals and patents. The information includes chemical compounds, chemical reactions, chemical properties, related bibliographic data, substance data with synthesis planning information, as well as experimental procedures from selected journals and patents.
In Diamond v.Chakrabarty, [7] the United States Supreme Court held that a genetically-altered living microorganism was patent-eligible subject matter. The Chakrabarty Court said that "we must determine whether respondent's micro-organism constitutes a 'manufacture' or 'composition of matter' within the meaning of the statute. [8]