Sentence examples for compounds we used from inspiring English sources

Aiming to develop new antileishmanial lead compounds, we used a rational approach to synthesize a new set of sulfonamide 4-methoxychalcone derivatives (3a 3i) and evaluate the sulfonamide and methoxy moieties as promising adding-groups to chalcones.

The compounds we used for our virtual screening targeting the HLA-B*57 01 HLA-B*57 01e extracted from the DrugBank database (https://www.drugbank.ca/).

The supplement gives detailed insight into the compounds we used for testing and the results of the screening, in comparison with the predictions [see Additional file 4].

Near neighbor analysis to find chemically similar compounds We used ChemAxon's JChem (Version 16.5.30.0) to find structurally similar compounds between known and predicted drugs for each of the target.

In order to generate the underlying graph structures representing chemical compounds, we used Molfile format [40].

As compounds we used a kinase inhibitor library (Enzo, Loerrach, Germany); each inhibitor was tested in triplicates.

After adding compounds, we use 100 × TCID50 virus to transfect RD cells.

Our intention was to build a registration system of the compounds we use, not to create an inventory; therefore, the physical location and quantity of the chemical compounds were not considered.

From the remaining 3392 compounds, we use 2005 where fragmentation spectra contain at least five peaks with more than 2%% relative intensity, and the mass deviation of the parent peak is below the maximum of 10 ppm and 2 mDa, and the ion mass is below 1000 Da.

The representation of chemical compounds we use here does not impose any definition of "important groups".

− For compounds, we use a similarity based on the similarity measure computed by the SIMCOMP (SIMilar COMPound) [ 24] tool.