Sentence examples for molecular structure data from inspiring English sources

The Cambridge Structural Database ( CSD ) contains a large amount of molecular structure data ( bond length, bong angle and torsion angle data).

Molecular structure data.

Since CML can be extended, it is possible to reuse existing conventions for molecular structure data, and add new conventions for the additional quantum data.

The poor results from the confirmatory bioassay experiments have led to a question of molecular structure data representation and this is an area for future work.

This implementation would be further improved by automating the creation of NWChem inputs from, e.g., molecular structure data, and starting the NWChem process.

This program recognizes textual patterns from the supplementary data and generates standard molecular structure data (bond matrix, atomic coordinates) that can be subjected to a multitude of computational processes automatically.

The main hurdle with scaling these approaches up to larger data sets, is that the computation time and memory usage scale up too, in most cases in a more than linear fashion due to the complexity of three-dimensional molecular structures data.

There are many biological data types - the most common include sequence data (nucleotide or protein), molecular structures, expression data, and functional annotations.

The molecular structures of data set were sketched using ChemDraw (Ver. 11, supplied by Cambridge Software Company).

This mobile phase was used as inlet for MS. According to molecular structure and literature data, electrospray positive ion mode was applied for analysis of fosinopril sodium and its impurities.

X-ray crystal structure determinations of 2 aa and 4 ba: A description of the procedure for the collection of crystallographic data for 2 aa and 4 ab, including a diagram of the molecular structure and the crystal data of 4 ab, are given in the Supporting Information.