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Table 5 Results of Stages 2 and 3 in Phase 1

From: A novel method for inference of acyclic chemical compounds with bounded branch-height based on artificial neural networks and integer programming

\(\pi \)

K

Activation

Architecture

L-Time

test \(\hbox {R}^2\) (ave.)

test \(\hbox {R}^2\) (best)

Kow

76

ReLU

(76, 10, 1)

2.12

0.901

0.951

Bp

76

ReLU

(76, 10, 1)

26.07

0.935

0.965

Hc

68

ReLU

(68, 10, 1)

234.06

0.924

0.988

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Algorithms for Molecular Biology

ISSN: 1748-7188