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.