Sentence examples for between compounds based on from inspiring English sources
Building off the idea of structural similarity, some algorithms introduced reaction rules, or more general transitions between compounds based on changes in chemical structure.
The chemical structure similarity between the compounds was computed using the SIMCOMP algorithm [ 34], which represents the 2D chemical structures as graphs and calculates a similarity score between the compounds based on the size of the common substructures between the two graphs using the Jaccard coefficient, also known as the Tanimoto coefficient.
Thus, this review focuses on the differences between the non-steroidal aromatase inhibitors allowing physicians to choose between these compounds based on scientific evidence.
The hydrophobic interactions between ferrocenyl compounds, based on the tamoxifen skeleton (ferrocifens), and non-polar molecular architectures, such as cyclodextrin (CD) cavities and unsubstituted n-alkane chains, were investigated in water and alcohol/water mixtures by cyclic voltammetry through three different approaches.
Chemical space mapping uses 3-D embedding and clustering to display the similarity among compounds i.e. spatial proximity between two compounds based on their feature similarity.
Furthermore, we corroborated these observations using an independent method (multidimensional scaling, MDS) to view the pairwise distances between the compounds based on their chemical features.
Thus, the addition of HTS descriptors affects the similarity relationships between compounds based purely on their chemical descriptors.
The expected IC20 was computed by calculating the synergy between two drug compounds based on their individual activity.
Our results highlight subtle differences between these two classes of compounds based on the MS fingerprints, enabling confidence differentiation of the compounds.
The discrimination between priming-active and priming-inactive compounds based on the OTR was successfully presented for SA and some of its derivatives.
Previously we designed a series of pyridinic anticholinesterasic compounds based on molecular hybridization between tacrine and the natural piperidine alkaloid -3-O-acetylspectaline ispectabilism spectabilisabilispectabilis
