NightShift: NMR shift inference by general hybrid model training - a framework for NMR chemical shift prediction

BMC Bioinformatics

Table 1 Summary and comparison of data sets used by different hybrid shift prediction approaches

Approach	Year	Size of training set	Size of test set	X-ray/NMR resolved	Homolog
		Files (shifts)	Files (shifts)		Exclusion
Meiler [15]	2003	292 (n. a.)	30 (n. a.)	mixed	N
Sparta [17]	2007	200 (n. a.)	25 (n. a.)	X-ray	N
CamShift [18]	2009	n. a. (224,036)	35 (n. a.)	X-ray	N
ShiftX2 [21]	2010	197 (206,903)	61 (n. a.)	X-ray	Y
NightShift	2012	515 (326,652)	344 (217,768)	NMR, X-ray, or mixed	Y

The third and fourth columns show the size of the data set, measured as the number of proteins contained within. The CamShift publication reported only the overall number of shifts, which we denote in parentheses. Note that for the NightShift set, we already excluded homologous proteins. The table only includes methods for which these numbers could be reliably determined.

ISSN: 1471-2105