Sentence examples for entry specification from inspiring English sources

Specifically, simplified molecular input line entry specification (SMILES) and Structure Data Format (SDF) are acceptable molecular file formats (or users can convert their files into these two formats using OpenBable [37] or ChemCONV [49]).

simplified molecular input line entry specification.

Curly-braces enhanced Smart Material Input Line Entry Specification.

For each of the compounds, a 2D chemical structure was generated from the SMILES (Simplified Molecular Input Line Entry Specification) notation using Chemfinder [12].

CurlySMILES (Curly-braces enhanced Smart Material Input Line Entry Specification) is introduced as a chemical language for the specification of chemical materials and supramolecular structures.

In the case of chemicals, they can also be identified by a specific structure representation such as a connection table, an InChI string or a simplified molecular input line entry specification (SMILES).

Some fundamental aspects of pipeline engineering for CO2 transportation are then introduced, including flow in pipelines, materials issues, and product entry specifications, as well as the mechanisms and management of pipeline fracture failure.

Low completion rates in the re-abstracted database may suggest this information is not available in the chart or is not documented in a format that is consistent with current BCPDR data entry specifications (e.g., "high school" instead of the number of school years completed).

The Jaccard Index JI, the Cosine Similarity CS and the Dice Coefficient DC similarity measurements were used to calculate the similarity between drugs based on their molecular structure in form of fingerprint of simplified molecular-input line-entry specification (SMILES [37]) retrieved for 6594 small molecules from the DrugBank database [38] and processed by the package rcdk v.3.1.3 [39].

For each entry the specification of parameters that have applied here are given; they are chosen such that special cases like e.g. the vanishing of terms are avoided.

A protocol for data-entry includes specifications aimed at minimising coding errors.