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Table 4 Atomic feature set

From: SMFF-DTA: using a sequential multi-feature fusion method with multiple attention mechanisms to predict drug-target binding affinity

Atom features

Classification

Atomic number

1, 6, 7, 8, 9, 15, 16, 17, 35, 53

Atomic degree

0, 1, 2, 3, 4, 5

Hydrogen number

0, 1, 2, 3, 4

Implicit valence electron number

0, 1, 2, 3, 4, 5

Formal charge

−1, 0, 1

Aromatic

0, 1

Hybrid

S-, SP-, SP2-, SP3-, SP3D-, SP3D2

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BMC Biology

ISSN: 1741-7007

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