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4 days ago · You can search chemicals by name, molecular formula, structure, and other identifiers, as well as find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more.
3 days ago · Description. Acts on primary or secondary alcohols or hemi-acetals with very broad specificity; however the enzyme oxidizes methanol much more poorly than ethanol. The animal, but not the yeast, enzyme acts also on cyclic secondary alcohols. ENZYME.
3 days ago · This searches pubchem for the conformers of a given structure and returns all the confomer ids of a structure. Parameters: search (str or int): the compound you are searching for.
2 days ago · OMIM is a comprehensive, authoritative compendium of human genes and genetic phenotypes that is freely available and updated daily. OMIM is authored and edited at the McKusick-Nathans Institute of Genetic Medicine, Johns Hopkins University School of Medicine, under the direction of Dr. Ada Hamosh. Its official home is omim.org.
5 days ago · PubChem Structure Search allows the PubChem Compound Database to be to be queried by chemical structure or chemical structure pattern. The PubChem Sketcher allows a query to be drawn manually.
- John Arnold
- 2008
2 days ago · Datasets 3 and 4 are derived from the PubChem database. Subsets were filtered out using the MaxMin algorithm from the nearly 100 million molecules in the PubChem dataset. For Dataset 3, a subset of 9,510,000 molecules was selected.
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4 days ago · The developed multivariate classifiers were used for ligand-based virtual screening of 2 million random molecules of the PubChem database, yielding areas under the receiver operating...
