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Additionally, the molecular encoding used to encode the molecules should result in a sparse feature vector to reduce the dimensionality d.
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"What variation of base64 encoding uses UTF7?" another user queried.
Finally, we shortly explain the employed molecular encoding and the baseline methods used for comparison.
175,356 documents in XML-CML syntax encoded using chemical mark-up language (CML) [14], containing a molecular structure from the NCI database and some metadata describing the entry.
The specific choice of molecular encoding is crucial to obtain an interpretable linear model.
Optimization of the molecular descriptors used to encode chemical structures using oversampled data sets minimized noise by excluding less sensitive descriptors from training inputs to maximize the signal for mGluR5 and proved to be a crucial step for increasing enrichment for active compounds.
Each nucleotide is encoded using two bits.
The scRT-PCR protocol was designed to detect mRNAs encoding for 8 molecular markers commonly used to define subpopulations of cortical neurons: GAD65, GAD67, CB, Parv, CR, NPY, VIP, and SOM.
The true randomness is conferred by molecular computations using hybridization of DNA sequences encoding 4 types of cipher tiles.
It seems that the other three 3-D similarity measures, to some extent, can take structural information into account that is encoded in molecular fingerprints by using feature atoms that represent six functional group types.
Bacterial isolates underwent molecular characterization using multilocus sequence typing, staphylococcal cassette chromosome mec (SCCmec) typing, and PCR for the presence of the genes encoding Panton-Valentine Leukocidin (PVL).
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