Sentence examples for structure of a compound from inspiring English sources

During the early 20th century, pharmacologists became aware that a relation exists between the chemical structure of a compound and the effects it produces in the body.

SMILES is a linear text string representation of the 2D chemical structure of a compound.

Moreover, the structure of a compound can be easily represented in various formats.

For example, the 2D or 3D structure of a Compound object can be attached to it as a Cargo in any chemistry file format.

The user is typically a non-computational expert but knows the structure of a compound or has a chemical id or electronic structure (e.g. MOL) file.

The IUPAC nomenclature system is designed for just such a case: a means of unambiguously describing the structure of a compound.

The term "structure elucidation" usually refers to full de novo structure identification of a compound, including stereochemical assignments.

Feature trees were computed from the molecular structure of a known compound, and represent hydrophobic fragments and functional groups of the compound, and the way these groups are linked together.

For example, the path of the "smiles" structure cargo of a Compound whose identifier is "1" becomes "compounds/1/smiles" (Figure 1). Figure 1 The layout of a QDB archive in the local file system.

Once the structure of a new compound has been published, chemical-supply laboratories are free to synthesize it for sale, "for research purposes only".

In a Lewis structure of a covalent compound, the shared electron pair is represented by a line, so the Lewis structure of hydrogen chloride is denoted HCl:....