Table 3 The molecular fingerprints in CDK
| Â | Bit version | Count version | CDK version | Default Size |
|---|---|---|---|---|
\(\checkmark\) | \(\checkmark\) | v2.0 | 1024/\(2^{32}\)* | |
EStateFingerprinter [87] | \(\checkmark\) |  | v1.2.0 | 79 |
ExtendedFingerprinter | \(\checkmark\) | Â | v1.0 | \(1024\) |
Fingerprinter | \(\checkmark\) | Â | v1.0 | \(1024\) |
GraphOnlyFingerprinter | \(\checkmark\) | Â | v1.0 | \(1024\) |
HybridizationFingerprinter | \(\checkmark\) | Â | v1.4.0 | \(1024\) |
KlekotaRothFingerprinter [88] | \(\checkmark\) |  | v1.4.6 | 4860 |
LingoFingerprinter [89] | \(\checkmark\) |  | v2.0 | NA\(^{\dagger }\) |
MACCSFingerprinter | \(\checkmark\) | Â | v1.2.0 | 166 |
PubchemFingerprinter [90] | \(\checkmark\) |  | v1.4.0 | 881 |
ShortestPathFingerprinter | \(\checkmark\) | Â | v2.0 | 1024 |
SignatureFingerprinter [44] | \(\checkmark\) | \(\checkmark\) | v2.0 | \(2^{32}\) |
SubstructureFingerprinter | \(\checkmark\) | Â | v1.0 | 307 |