PhactorTM – a High Throughput Experimentation Management System

30 October 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

High throughput experimentation (HTE) is an increasingly important tool in the study of chemical synthesis. While the hardware for running HTE in the synthesis lab has evolved significantly in recent years, there remains a need for software solutions to navigate data rich experiments. We have developed the software, phactor™, to facilitate the performance and analysis of HTE in a chemical laboratory. phactor™ allows experimentalists to rapidly design arrays of chemical reactions in 24, 96, 384, or 1,536 wellplates. Users can access online reagent data, such as a lab inventory, to populate wells with experiments and produce instructions to perform the screen manually, or with the assistance of a liquid handling robot. After completion of the screen, analytical results can be uploaded for facile evaluation, and to guide the next series of experiments. All chemical data, metadata, and results are stored in a machine-readable format.

Keywords

chemical synthesis
data science
high-throughput experimentation
software
esterification
catalysis
process chemistry
medicinal chemistry

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