Shoeblack AI

This is an introduction on toxicity prediction programs that make profit. What they all have in common is that they don't use deep learning technology at all. When it comes to toxicity prediction services, it doesn't really matter if they use artificial intelligence or deep learning. What matters is how accurate the prediction is. The technology under the hood is actually secondary. The software..

AlphaFold. It's an AI that predicts protein structure. It just won the Nobel Prize in Chemistry. So you've probably heard the name, but few people have studied how it works. It just seems very difficult. These days many people just talk about chatGPT when they talk about AI. Simply people think AI is a sort of website or program that talks to you. First of all, what is AI?AI is a set of paramete..

When I was younger, I thought drugs were problems in the other countreis. In South Korea, it's not allowed... Nowadays, it seems to be a serious problem. I haven't seen any incidents around me, but I often see it on the news or in ads, to prevent use of drugs particularly in school or among students. I feel that it's getting serious than before. While I was watching news of people addicted to dr..

AlphaFold, winner of the Nobel Prize in Chemistry. I'm often asked about it because I'm in the field. But I don't really know much about it because I rarely use it. But I do understand why it's an important research. I just don't know the details of the model. AlphaFold predicts the structure of a protein based on the protein sequence, and it creates a three-dimensional protein structure. Protei..

I recently read a book called 'The Alchemy of Air.' It's about two scientists who won the Nobel Prize in Chemistry for making fertilizer from air. Fertilizer from air? There is a huge amount of nitrogen in the air. Even the gas in a bag of chips is nitrogen. The nitrogen that remains in the air is the main ingredient in fertilizers. The book begins with a speech by a scientist. He warns that a g..

Someone who never shows their true colors. You never know what they're up to. You can't trust them. Experts distrust AI for similar reasons. It's hard to understand why a model answers the way it does and what its intentions are. AI models are sometimes referred to as black box models. This is because it is difficult to understand why the model made the inferences like that. The same is true for..

Accuracy. It's important. How to evaluate the model? It depends on what the model task. QSAR models' accuracy is measured by comparing experimental and predicted values, which means you can't judge accuracy without experimental values. How do you know if it's accurate? The first step is to prepare the answer (here observed values or experimental values). Principle 4 of the OECD QSAR validation g..

Many people are disappointed by AI's answers. When ChatGPT was first released, the answers of the model were mind-blowing. After sometime, people started getting skeptic because of ridiculous answers. Experts are releuctant to use chatGPT because factuality matters. The QSAR model also uses AI technology, but there is a lot of mistrust. According to the developer of the model, it is 80% accurate..

Can we trust AI's answer? Hallucinations are flooding in AI's answer... If you've been using ChatGPT for a while, you've probably experienced it at least once or twice. It's not uncommon to see ridiculous answers. Are toxicity prediction models any different? NO. They can say that a substance is dangerous when it's safe, or vice versa. You can just confirm the ChatGPT answers by googling... In c..

Details of the model. I'm checking the QMRF documentation. If you don't know what I'm talking about, see my previous post 'Dissecting an AI model (data)' The second principle in the OECD QSAR validation guideline is to accurately describe the algorithm of the model. This part describes how the model was developed and how it works. According to the document, the model can only give three possible..