Sentence examples for compound count from inspiring English sources

We have included self-reported statistics of their content from September 2008 or by selecting them as a source in PubChem to obtain a compound count.

Of the very broad range of 367 pharmacological actions defined for the 4,218 small molecules, the three with greatest compound count were enzyme inhibitors (336), anti-bacterial agents (237), and antineoplastic agents (230).

The estimated dog population of street counts and compound counts were 5310 and 7670, respectively.

The compound counts are defined by a unique structure identifier based on the Standard InChIKey [18].

These were compared to the compound counts as alternative measures of chemical diversity on a per-target basis.

These latter figures generally show a significant reduction compared to the self-reported compound counts from the sources but it should be borne in mind that these may be defined in different ways.

Table 4 Compound counts for retrospective screening scenarios Group of compounds Total number of compounds Number of compounds after Ligprep actives 271 550 Inactives 324 601 DUDs 2000 2526 ZINC 2000 2557 Table 5 Crystal structures of beta-2 adrenergic receptor used in the study PDB ID Resolution 2RH1 2RH1 3D4S 2RH1 3NY8 2RH1 3NY9 2RH1 3NYA 3.16 3KJ6 3.40 2RH1 3.40 2RH1 3.40 3P0G 3.50 3PDS 3.50.

The full list of these protein sequence identifiers, compound counts and document counts is included in Additional file 1, with the target statistics in Table 2. Table 2 Protein Identifier Content for Additional file 1 Entity type Count Distinct protein names 1736 Entrez Gene ID (EGIDs) 1654 Symbols 1654 Symbol matching HGNC 1638 Splice form names 135 EGIDs with Splice forms 48.

The column results are; 1) the count of SMILES downloaded from chemicalize.org and subsequently uploaded, 2) successful PubChem conversions, 3) PubChem conversion failures, 4) PubChem CID exact matches, 5) substance: compound counts (i.e. the average SID: CID ratio), 6) matches in PubChem that included chemicalize.org as one of the CID sources and 6) with chemicalize.org as the only source.

2. Oral and injection forms of the same compound counted as one AP agent.

Out of the 182 clusters, 71 were singletons which were removed from further analysis whereas remaining selected 111 clusters had compounds count ranging from 2 144.