Who am I?

I am a PhD student at Volkamer lab working in the field of chem(o)informatics, with a particular interest in molecular property prediction (MPP) using machine learning (ML). My journey began with the hope of harnessing the power of transformer models (i.e., language models) to tackle the extremely challenging task of predicting molecular properties—such as solubility, binding affinity, and especially toxicity.

As I explored how to push the boundaries of knowledge just a nanometer further, I realized how much existing knowledge isn’t available in an intuitive or easily digestible format. Since that realization, I’ve been on a mission to explain things to myself in the most accessible way possible.

Writing has become a key part of this process. By putting my thoughts into words, stories, and analogies, I understand them better—and I thought, why not share that with others? That’s how this blog was born.

In this blog, you’ll find a mix of topics. Some are very basic but always with my personal take. Others are considered complex, but I aim to make them feel intuitive—just like I managed to show myself. And some posts won’t be about science at all! After all, this is The Diaries of a cheminformatics PhD. Diaries aren’t about research; they’re about the person behind it.

To describe the spirit of this blog, I want to borrow a quote from Sarah Kay in one of my favourite YouTube videos of all time (with a little tweak to fit my context):

“Take these blog posts—they are all I have to offer. They may not be first, or ever best, but they’re the only proof I have to show that I went through a PhD at all.”

P.S. My #1 favourite YouTube video of all time is this beautiful piece by exurb1a:
Then next comes. Worth every second.

⚠️ Warning: I am a passionate and opinionated person. This usually comes with a confidence and assertiveness—sometimes absolutely unjustified. I’m still learning how to express my thoughts without presenting them as the ultimate truth (because I am always aware they’re not). But you know… youth! 🤷🏻‍♀️

🙏🏽 Request: So, when you find me falling into this trap of unjustified confidence, please—gently—nudge me in the right direction. I’m someone who will end up listening to the voice of reason (after putting up some fight because… again… youth! 🤷🏻‍♀️).