Sentence examples for per compound of from inspiring English sources

Qualitatively differing compounds constituted between 1.01% and 8.21% per compound of the respective CHC profiles (average: 2.59%±0.5%, mean ± SE).

The docking procedure takes about 30 s of time per compound on a Intel Xeon 2.8 GHz CPU using a 100 processor Linux cluster.

What may be questionable (to some) is the intention to use only a single conformer per compound for each of the CID pairs.

This may be related to the use of multiple conformers per compound for 3-D clustering.

Using a basis set of 4.18 billion 3-D neighbor pairs identified from single conformer per compound neighboring of 17.1 million molecules, shape descriptors were computed for all conformers.

The compound filling framework methods (Gao et al., 2011; Moriya et al., 2010) needed tens of seconds per compound (corresponding to thousands of hours for all possible compound pairs).

The average compound neighbor count per compound, after exclusion of self-neighbor pairs, is 253. Figure 1 shows the frequency of neighbor count per compound, cumulative % CID count, and cumulative % 3-D neighbor count.

However, if the 3-D neighboring considers ten diverse conformers per compound, a throughput of 100,000 conformer pairs per second per CPU core corresponds to a throughput on the order of magnitude of 1000 compound pairs per second per CPU core because there can be 100 conformer pairs (10 × 10 = 100) for each compound pair.

So, as the count of conformers per compound is increased, the utility of this filter is magnified.

The choice of the number of conformers per compound in our study is directly related to the current capability and future direction of the PubChem services.

Effects of employing multiple conformers per compound upon 3-D similarity of the non-inactive compounds tested in AID 1033.