Sentence examples for matrix of compound from inspiring English sources

To interrogate such data, MolClass generates a complete matrix of compound activities across many screens and thereby enables functional predictions for all molecules, even if not tested in a specific screen.

"When you have all of the compounds acting in concert, you tend to get a greater therapeutic utility and medical benefit from cannabis that conserves that original matrix of compounds".

The Jaccard similarity matrix of compound-protein pairs, where each element is Jaccard similarity of two sets S (C, P) and S (C′, P′), is also PD. 2. Let the minwise hashing matrix of compound-protein pairs be a matrix whose element is defined as the inner product of two compact fingerprints F (C, P) and F (C′, P′).

However, the input of the SVM method in most previous works is the pairwise kernel similarity matrix of compound-protein pairs, which makes it difficult to analyze large-scale data.

Each element of the pairwise kernel matrix of compound-protein pairs is defined as the number of common elements between two sets S (C, P) and S (C′, P′), i.e, | S (C, P) ∩ S (C′, P′)|.

This usually needs, to prevent unspecific oxidation of the protein matrix, stabilization of Compound I by (i) a partially (e.g., histidine H-bonded to Asp or Glu) or fully negatively charged (cysteinate or tyrosinate) proximal heme ligand and (ii) a short half-life of Compound I due to efficient reaction with the electron donor(s).

A method has been indicated for evaluation of the overall transfer matrix of a compound wall by incorporating the transfer matrix of a damping layer as a possible constituent of the wall.

From the covariance matrix of the compounds, principal component analysis (PCA) is performed to find similar clusters of compounds.

More than 647,900 of these compounds were annotated for two or more protein targets, producing a well-populated matrix of inactive-compound annotations.

Computing the full similarity matrix of 4000 compounds, which is close to the size of larger fragment libraries, requires ca. 33 minutes.

In this work the authors integrated the experimental results from multiple databases into a bioactivity matrix of 52,498 compounds and 467 targets, including 246,088 observations.