Green Cheminformatics

software developer, PhD environmental cheminformatics

Cheminformatics in the Command Line: Ampersands

February 11, 2022 1 minute read

Not a logical operator, but a control operator

February 17, 2021 4 minute read

A Hack to get Top-10 Boxplots using ggplot2 in R

February 17, 2021 1 minute read

Some preliminary thoughts

January 2, 2021 1 minute read

Preprint out now! Non-target Analysis to Support Regulatory Water Monitoring

December 31, 2020 3 minute read

Undefined Stereo Depiction, Tautomer InChIKeys, and Double Bond Stereo in MOL files