Machine learning 101: How to build your first neural network
What are neural networks? Neural networks (NNs) in various forms are very common nowadays, and specific architectures are used for…
What are neural networks? Neural networks (NNs) in various forms are very common nowadays, and specific architectures are used for…
How can I predict my compound’s absorption? The first of the ADMET properties relate to absorption. Understanding how a drug…
Which AI platform do you need? The first thing you’ll need to do is decide what you need to achieve…
Structuring your cheminformatics data First, the easiest format to work with is a simple table of data, where each row…
My hope is that these posts will be of interest to people who want to understand more of the nuts…
What are StarDrop and Semeta? Semeta is a tailored platform for DMPK scientists. It enables users to address key challenges…
Data curation for model building A model can only be as good as the data it has been trained on.…
What comprises large molecules? When we talk about “large molecules,” we often think of biologics like monoclonal antibodies, proteins, and…
Why focus on cytochrome P450 enzymes? CYPs are a ubiquitous superfamily of heme-containing monooxygenases responsible for approximately 70–80% of observed…
Benefits of continuous integration to use up-to-date data in model building Cerella has the ability to work with and learn…
Buying software for your company can be a challenge. Every organisation does things differently, and there is often no handbook…
StarDrop — A Swiss Army knife for drug discovery It’s designed to fit right in with the other tools you…
At a very basic level, this means that StarDrop supports loading data from many different standard file formats (SDF, MOL2,…
Is AI-guided drug discovery faster and cheaper? The evidence for this is, by definition, anecdotal. No one runs the same…
What’s the purpose of a predictive model? What’s the value of predictive models for drug discovery? Most of the undergraduate…
The role of generative chemistry in drug discovery A key difficulty in finding new drugs is the sheer size of…
Learn how to evaluate StarDrop with this step-by-step guide from Optibrium. Discover key features, trial objectives, and how to set up a successful evaluation of this powerful drug discovery platform
Discover which metabolite prediction software is best for your needs in this comprehensive guide from Optibrium. Compare top tools like Meteor Nexus, MetaSite, and StarDrop to make informed decisions for drug metabolism prediction
We’re often asked, “What’s the difference between QSAR and imputation models?”, so I’m going to explain how the methods differ, their advantages and disadvantages, and when each approach is applicable.