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oechem Oechem, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more https://www.bioz.com/product/openeye+oechem/oechem/pmc11558672-300-12-12 Average 90 stars, based on 1 article reviews
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OpenEye Scientific Software Inc
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Image Search Results
Journal: Journal of Cheminformatics
Article Title: PubChem atom environments
doi: 10.1186/s13321-015-0076-4
Figure Lengend Snippet: Top-10 most frequent ‘augmented atoms’ in PubChem Compound. PubChem Compound records were fragmented with atom type and bond type definitions identical to those used by Adamson et al. . Incidence was used for ranking, calculated based on 46,605,207 compound records. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelMDL in the OpenEye Scientific Software, Inc. OEChem C++ toolkit .
Article Snippet: Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the
Techniques: Software
Journal: Journal of Cheminformatics
Article Title: PubChem atom environments
doi: 10.1186/s13321-015-0076-4
Figure Lengend Snippet: Top-10 most frequent atom types (r = 0) in PubChem. Percentages indicate incidence of the atom type in the respective database: a Substance; and b Compound. Light gray bonds for clarification of connectivity and valence. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the OpenEye Scientific Software, Inc. OEChem C++ toolkit .
Article Snippet: Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the
Techniques: Clarification Assay, Software
Journal: Journal of Cheminformatics
Article Title: PubChem atom environments
doi: 10.1186/s13321-015-0076-4
Figure Lengend Snippet: Top-10 most frequent atom environments with radius r = 1 in PubChem. Percentages indicate incidence of the atom environment in the respective database: a Substance, and b Compound. Light gray structures clarify valence and connectivity. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the OpenEye Scientific Software, Inc. OEChem C++ toolkit .
Article Snippet: Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the
Techniques: Software
Journal: Journal of Cheminformatics
Article Title: PubChem atom environments
doi: 10.1186/s13321-015-0076-4
Figure Lengend Snippet: Top-10 atom environments with radius r = 1 unique to Substance and Compound, respectively. Atom environments are ranked by their incidence in the respective database: a Substance, and b Compound. Incidence provided in absolute numbers due to very low corresponding percentages. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the OpenEye Scientific Software, Inc. OEChem C++ toolkit .
Article Snippet: Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the
Techniques: Software
Journal: Journal of Cheminformatics
Article Title: PubChem atom environments
doi: 10.1186/s13321-015-0076-4
Figure Lengend Snippet: Top-10 most frequent atom environments with radius r = 2 in PubChem. Percentages indicate incidence of the atom environment in the respective database: a Substance; and b Compound. Light gray structures clarify valence and connectivity. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the OpenEye Scientific Software, Inc. OEChem C++ toolkit .
Article Snippet: Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the
Techniques: Software
Journal: Journal of Cheminformatics
Article Title: PubChem atom environments
doi: 10.1186/s13321-015-0076-4
Figure Lengend Snippet: Top-10 most frequent atom environments with radius r = 2 unique to Substance and Compound, respectively. Atom environments are ranked by their incidence in the respective database: a Substance; and b Compound. Incidence provided in absolute numbers due to very low corresponding percentages. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the OpenEye Scientific Software, Inc. OEChem C++ toolkit .
Article Snippet: Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the
Techniques: Software
Journal: Journal of Cheminformatics
Article Title: PubChem atom environments
doi: 10.1186/s13321-015-0076-4
Figure Lengend Snippet: Top-10 most frequent atom environments with radius r = 3 in PubChem. Percentages indicate incidence of the atom environment in the respective database: a Substance; and b Compound. Light gray structures clarify valence and connectivity. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the OpenEye Scientific Software, Inc. OEChem C++ toolkit .
Article Snippet: Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the
Techniques: Software
Journal: Journal of Cheminformatics
Article Title: PubChem atom environments
doi: 10.1186/s13321-015-0076-4
Figure Lengend Snippet: Top-10 most frequent atom environments with radius r = 3 unique to Substance. Atom environments ranked by incidence. Incidence provided in absolute numbers due to very low corresponding percentages. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the OpenEye Scientific Software, Inc. OEChem C++ toolkit .
Article Snippet: Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the
Techniques: Software
Journal: Journal of Cheminformatics
Article Title: PubChem atom environments
doi: 10.1186/s13321-015-0076-4
Figure Lengend Snippet: Atom environments with radius r = 3 unique to Compound. Atom environments ranked by incidence. Incidence provided in absolute numbers due to very low corresponding percentages. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the OpenEye Scientific Software, Inc. OEChem C++ toolkit .
Article Snippet: Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the
Techniques: Software