Sentence examples for feature of a compound from inspiring English sources

Additionally, the weight w ij = α i y i x ij of a feature of a compound with α i > 0 is positive if the class of a compound x i is labeled active (y i = +1) and negative otherwise.

If a user wants to obtain the value of a ChEBI feature of a compound, it is necessary to use a property connecting the compound with the resource representing the ChEBI feature, and then to use the property connecting this resource with the feature value.

The feature maps permit to compute similarity matrices with jCompoundMapper on the full set of features of a compound C, without introducing noise by hashing.

The goal of this work was to introduce a new binary fingerprint that encodes the main features of a compound data set.

In all implementations the features of a compound C are distinguishable by recurrence, which means that we include a feature if the id of a feature is different from the previously extracted features.

Because different fingerprints take charge of different aspects and features of a compound, the multi-voting SEA could be very robust (using a 1-vote scheme) for predicting target-ligand pairs and also accurate in its results (using the 5-vote scheme).

When the chemical features of a compound fit the generated PhModels, it will be selected.

In line with such a notion, the addition of target features to a compound stimulus may delay the selection process, thereby increasing the SN time window [17].

Each ECFP feature of a fingerprinted compound represents a circular substructure around a center atom.

A characteristic feature of all compounds is the presence of two sets of octahedral spirals with different radii and twisting directions.

Using BLAST to cross to the human and horse genomes we find unique, highly significant (E-score<10−100) associations with the same nearest features of ASB3 (a compound locus described as ankyrin repeat and suppressor of cytokine signaling (SOCS) box protein 3).