Sentence examples for score compound from inspiring English sources

However, if investagtors whish to report a testing result in the training cohort, an alternative, though less optimal, study design is using k-fold method or split the training cohort data randomly (2-fold), with 50% of the data being assigned to develop the score, compound covariate, and 50% to evaluate its performance.

Tversky_ref is recommended with Pharao to score compounds in virtual screening experiments [44].

In Open Babel, Tanimoto is used to score compounds with MACCS.

All MOE fingerprints use Tanimoto to score compounds, except ESshape3D and ESshape3d_HYD which use an inverse distance.

Tversky_ref was used to score compounds with Shape-it, since it gave better results than Tanimoto or Tversky_db.

The final model gave a good correlation between calculated binding energy and log Ki and was used to design novel ligands and score compounds for synthesis.

In our application, TG quantifies the success of a VS method to rank and score compounds depending on activity, over the complete molecular dataset.

Among the six terpenes, the highest scoring compound was identified as γ-terpinene.

Among the luminal phenotype correlated drugs, Tamoxifen was identified as a high scoring compound (Figure 4B) (rank = 57, R = 0.6140 and FDR = 0.0000).

We further found that scoring compound QI's (e.g., 1, 8 and 16) in an all or nothing fashion may lead to loss of useful information.

But sampling and random events affect both earlier and later scores, compounding the inaccuracy.