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Molecular structure generation is a branch of graph) generation problems. Molecular structures are graphs with chemical constraints ...

MOLGEN Molecular Structure Generation ... The program system MOLGEN is devoted to generating all structures (connectivity isomers, constitutions) that correspond ...

This page lets you easily convert IUPAC names, common names, SMILES codes, CAS numbers, and other identifiers into chemical structures.

Instructions for using the structure search and drawing tool: Hover over the icons to learn the function of the chemical structure drawing tools. Use the canvas to construct, import, or edit your molecules. Right-clicking on an object on the canvas brings up a pop-up menu that allows you to manipulate the objects and structures on the canvas.

Search by Structure or Substructure. Upload a structure file or draw using a molecule editor.

Get the free "3-D Chemical Structure Generator " widget for your website, blog, Wordpress, Blogger, or iGoogle. Find more Chemistry widgets in Wolfram|Alpha.

Search by Structure or Substructure. Upload a structure file or draw using a molecule editor.

Rn. SMILES SMARTS InChI MDL Molfile ISIS Sketch ISIS TGF ChemDraw CDX ChemDraw XML CML MRV Sybyl SLN JME SMD PNG Image PICT Image GIF Image WMF Image SVG Image EPS Image MIF Image SWF Image PDF Image. …

Get the free "3-D Chemical Structure Generator " widget for your website, blog, Wordpress, Blogger, or iGoogle. Find more Chemistry widgets in Wolfram|Alpha.

MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle.

Chemical structure search - draw and find chemicals from suppliers worlwide. ... At Chemspace, we aim to deliver chemical building blocks to fulfill the ...

Chemical Structure Search ; Hide Quick Search, more info ; Find chemicals and suppliers by name, molecular formula or cas number: ; Hide Structure Search, more ...

03.07.2021 · The generation of constitutional isomer chemical spaces has been a subject of cheminformatics since the early 1960s, with applications in structure elucidation and elsewhere. In order to perform such a generation efficiently, exhaustively and isomorphism-free, the structure generator needs to ensure the building of canonical graphs already during the generation step …

Rn. SMILES SMARTS InChI MDL Molfile ISIS Sketch ISIS TGF ChemDraw CDX ChemDraw XML CML MRV Sybyl SLN JME SMD PNG Image PICT Image GIF Image WMF Image SVG Image EPS Image MIF Image SWF Image PDF Image. Add Add Special Keep AsIs Strip Non-Special Strip All. Help.

Identical Structures Similar Compounds, score >= 95% Similar Compounds, score >= 90% Similar Compounds, score >= 80%. Identical Structures Similar Structures. with same connectivity any tautomer same stereoisomer same isotopical labels same stereochemistry and isotopes non-conflicting stereochemistry same isotopes and non-conflicting ...

All Tautomers. Same Skeleton (Including H) Same Skeleton (Excluding H) All Isomers. Clear form. Search Hits Limit: 100 1000 10000. Single/Multi-component. Search Any.

Use this chemical structure search tool to search our chemical database for an exact or substructure match on your molecule of interest.