HPLC¶
This dataset reports the peak response of an automated high-performance liquid chromatography (HPLC) system for varying process parameters. 1
The dataset includes 1,386 samples with six parameters and one objective
Feature |
Kind |
Settings |
Description |
|---|---|---|---|
sample_loop |
continuous |
[ 0.00, 0.08] |
volume of the sample loop [ml] |
additional_volume |
continuous |
[ 0.00, 0.06] |
volume required to draw sample [ml] |
tubing_volume |
continuous |
[ 0.1, 0.9] |
volume required to drive sample [ml] |
sample_flow |
continuous |
[ 0.5, 2.5] |
draw rate of sample pump [ml/min] |
push_speed |
continuous |
[80, 150] |
draw rate of push pump [Hz] |
wait_time |
continuous |
[ 1, 10] |
wait time [s] |
Objective |
Kind |
Goal |
|---|---|---|
Peak area |
continuous |
maximize |
The dataset can be downloaded from: https://github.com/aspuru-guzik-group/phoenics
Reference
- 1
L.M. Roch*, F. Häse*, C. Kreisbeck, T. Tamayo-Mendoza, L.P.E. Yunker, J.E. Hein, A. Aspuru-Guzik. ChemOS: an orchestration software to democratize autonomous discovery. chemRxiv preprint, (2018), 10.26434/chemrxiv.5953606.v1.