Sentence examples for compounds representation from inspiring English sources

To compounds representation, two types of molecular fingerprints were used (MACCS and hashed fingerprint), to determine their possible impact on machine learning performance.

Fig. 2 Analysis of the effectiveness of different SVM optimization strategies with respect to various fingerprints expressed as the number of experiments in which a particular strategy provided the highest accuracy values for a given compounds representation.

The following fingerprints were used for compounds representation: E-state Fingerprint (EstateFP) [31], Extended Fingerprint (ExtFP) [32], Klekota and Roth Fingerprint (KlekFP) [33], MACCS Fingerprints (MACCSFP) [34], Pubchem Fingerprint (PubchemFP), and Substructure Fingerprint (SubFP), generated with the use of the PaDEL-Descriptor [35].

Importantly, the structural properties that predicted the compounds' representation across bird species (and thus their presumed importance in avian evolution) derive from the compound's topology on the ancient carotenoid network (Additional file 2: Figure S2, an abscissa in Fig.  7).

The first three columns include chemical compound representation.

It is also worth noting that a fingerprint is not a unique chemical compound representation because it encodes only a fragment of a molecule.

In this study, we investigated time domain, time frequency domain and combination of these as a compound representation of sEMG signal's features to access required signal information.

Neuronal implementations of TD-learning generally solve the problem of unknown T by using a so called serial compound representation (Suri and Schultz 1998, 2001; Suri et al. 2001; Suri 2002).

Concerning (c) we observe that ICO and ISO3 will maintain their convergence properties for x0 = 0. TD-learning will converge when using a serial compound representation (see Fig. 8c).

The compound representation in CDD Vault can be accessed via the text compound descriptors (as in the Supplemental Table 1) or in a batch connection table format as an MDL format structure data file (*.sdf) that is universally read by all chemistry aware software.

By capitalising on the existence of different patterns of Mismatch Negativity (MMN) amplitudes depending on whether the link between first and second constituents is lexical or syntactic, we ask whether hearing the second constituent of a semantic or transparent compound triggers access to a whole compound representation or combinatorial processing.