Which ADMET properties are important for me to predict?
How can I predict my compound’s absorption? The first of the ADMET properties relate to absorption. Understanding how a drug…
How much do AI drug discovery platforms cost?
Which AI platform do you need? The first thing you’ll need to do is decide what you need to achieve…
How should I prepare and store my data for cheminformatics applications?
Structuring your cheminformatics data First, the easiest format to work with is a simple table of data, where each row…
Machine Learning 101: How to train your first QSAR model
My hope is that these posts will be of interest to people who want to understand more of the nuts…
How does StarDrop compare to Semeta?
What are StarDrop and Semeta? Semeta is a tailored platform for DMPK scientists. It enables users to address key challenges…
How do I know if Optibrium’s predictive models work?
Data curation for model building A model can only be as good as the data it has been trained on.…
How can I model large molecules like macrocycles?
What comprises large molecules? When we talk about “large molecules,” we often think of biologics like monoclonal antibodies, proteins, and…
What’s the importance of cytochrome P450 metabolism?
Why focus on cytochrome P450 enzymes? CYPs are a ubiquitous superfamily of heme-containing monooxygenases responsible for approximately 70–80% of observed…
Data integration in AI-guided drug discovery
Benefits of continuous integration to use up-to-date data in model building Cerella has the ability to work with and learn…
How do I get budget approval for drug discovery software?
Buying software for your company can be a challenge. Every organisation does things differently, and there is often no handbook…
What other software does StarDrop integrate with?
StarDrop — A Swiss Army knife for drug discovery It’s designed to fit right in with the other tools you…
Data integration in drug discovery software
At a very basic level, this means that StarDrop supports loading data from many different standard file formats (SDF, MOL2,…
Is AI improving drug discovery?
Is AI-guided drug discovery faster and cheaper? The evidence for this is, by definition, anecdotal. No one runs the same…
How can I make the most of my predictive models for drug discovery?
What’s the purpose of a predictive model? What’s the value of predictive models for drug discovery? Most of the undergraduate…
How does generative chemistry work, and how can it help me?
The role of generative chemistry in drug discovery A key difficulty in finding new drugs is the sheer size of…
How to evaluate StarDrop: A step-by-step guide
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
Structure-based pose prediction: Non-cognate docking extended to macrocyclic ligands
In this paper, we describe an extended benchmark for non-cognate docking of macrocyclic ligands, and the superior performance of Surflex-Dock…
