A blog about environment, software, AI, geospatial data, chemicals, and sustainability.

Posts

• Jun 6, 2025

  ChatGPT, make my PhD work obsolete

• Oct 14, 2023

  Removing Specific Substructure Matches and Returning Fragments in RDKit

• Sep 23, 2023

  All Eyes on Bonn - International Conference on Chemicals Management 2023 (ICCM5)

• Sep 3, 2023

  Reflections on Software Development post-PhD

• Jul 10, 2023

  Cheminformatics for Risk Assessment of Transformation Products

• Jul 12, 2022

  Leave Tweedle-Dum alone! - Deleting One Substructure when Multiple are Present

• Apr 20, 2022

  Exploring COCONUT Locally - Part 2

• Apr 2, 2022

  Transcription-Translation of a Conversation on Mendelssohn’s Violin Concerto, I. Faust and A. K. Schreiber (2018)

• Apr 2, 2022

  Exploring COCONUT Locally - Part 1

• Mar 16, 2022

  Working with COCONUT DB using RDKit - sanitising Natural Product molecules

• Feb 28, 2022

  Will Malaysia Support Intergovernmental Action on Chemicals, Waste, and Pollution?

• Feb 11, 2022

  Cheminformatics in the Command Line: Ampersands

• Feb 17, 2021

  DataViz for High-dimensional Environmental Data #1

• Feb 17, 2021

  DataViz for High-dimensional Environmental Data #0

• Jan 2, 2021

  New Year, New Preprint on Non-target Analysis to Support Regulatory Water Monitoring

• Dec 31, 2020

  RDKit-discuss Roundup #1

• Dec 25, 2020

  Developing this Blog = #openscience?

• Oct 7, 2020

  Communicating Environmental Chemistry - CAS? SMILES? InChIKey?

• Jan 14, 2020

  This is the title

subscribe via RSS