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Table 3 Performance of SMILES parsing

From: chemf: A purely functional chemistry toolkit

Run

Singlethreaded

Multithreaded

Multithreaded

   

(after profiling)

1

17’149

10’295

7608

2

15’659

7123

5488

3

15’663

7248

5433

4

15’880

7508

5425

5

15’809

7669

5534

6

15’720

7197

5471

7

15’665

7174

5448

8

15’390

7296

5513

9

15’423

7687

5696

10

15’523

7564

5491

average

15’788

7676

5711

  1. Time (in milliseconds) taken to parse part of the ZINC database containing about 350’000 structures on a quadcore laptop. The multi-threaded runs ran on all four cores without further optimization of Scala’s parallel collections settings.