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Table 1 The possible pairs between predicted sequences and ground truths are presented

From: Substructure-based neural machine translation for retrosynthetic prediction

Ground truth

Predictions

List of possible pairs

P → R\(_{A}\) + R\(_{B}\)

P → P\(_{A}\) + P\(_{B}\)

[(\(\mathbf{R} _{A}{} \mathbf{P} _{A}\); \(\mathbf{R} _{B}{} \mathbf{P} _{B}\)), (\(\mathbf{R} _{A}{} \mathbf{P} _{B}\); \(\mathbf{R} _{B}{} \mathbf{P} _{A}\))]

P → P\(_{C}\)

[\(\mathbf{R} _{A}{} \mathbf{P} _{C}\), \(\mathbf{R} _{B}{} \mathbf{P} _{C}\)]

P → R\(_{C}\)

P → P\(_{A}\) + P\(_{B}\)

[\(\mathbf{R} _{C}{} \mathbf{P} _{A}\), \(\mathbf{R} _{C}{} \mathbf{P} _{B}\)]

P → P\(_{C}\)

[\(\mathbf{R} _{C}{} \mathbf{P} _{C}\)]

  1. The similarity of each pair is computed with the Eq. 1