Sentence examples for compound of a given from inspiring English sources

An outline of the workflow can be described as follows: as TrixS BMI does not decompose the compounds into smaller fragments, flexibility is handled by using a conformer generator, which calculates conformational ensembles for each compound of a given library.

The contemporary standard approach for ligand-based virtual screening is based on a sequential screening pipeline which means that every compound of a given compound library has to be screened against a reference molecule.

The time- and labor-intensive nature of live neuron screening makes a higher sampling coverage impractical using current methods, and the limited lifetime of the dissociated OSNs precludes the testing of a larger group of compounds on a given OSN.

The AFP model was built on the training set using the following parameters: maximum number of rules for each chemical activity = 30; minimum number of compounds for a given rule = 2; maximum number of cuts for each axis = 4.

First, each provider (through the interface) is asked for a list of compounds for a given search string and the list is filled with the results.

The database of compounds for a given target is rank ordered several times and the median rank for each active molecule with each consensus policy is recorded.

In the case where the confidences are the same for all compounds of a given class, this reduces to the positive or negative predictive values for the respective classes.

ROC curves characterize the overall inherent quality of a virtual screening experiment and by no means are indicative of the quality of a particular compound or of a given subset of the initial compound collection.

While CHESS does not aim to make statements with respect to the preferred chemical configuration of a given compound under a given set of conditions, CHESS allows the unambiguous and explicit identification of precise chemical configurations for the purpose of advancing and facilitating interdisciplinary scientific discourse.

The use of N/A and a database identifier represents the presence or absence of a compound in a given database.

(3) Differences in amount, activity, and substrate specificity of the esterases between species and models and for individual compounds compose a third parameter substantially affecting the percutaneous absorption of a given compound in a given system.