Rapid AI generation of optimised compound designs, guided by user interaction
Pairing AI with human expertise We present a novel AI compound optimisation system, designed to include human oversight as a…
Macrocyclic peptide optimisation: Integrating computational approaches with biophysical data
Introduction Using the integrated set of computational methods within the BioPharmics™ Platform, macrocycles can be effectively modelled for lead optimisation.…
How much does 3D molecular modelling software cost?
Introduction 3D molecular modelling plays a vital role in modern drug discovery, offering powerful applications to streamline research, reduce costs,…
What are the best AI drug discovery software platforms?
What value does AI offer in drug discovery? The potential is huge: To learn more about the value we’re seeing…
Maximising the ROI of AI – A comprehensive evaluation of Cerella for drug discovery success
When evaluating any new technology, it is important to establish how you will validate whether it will deliver a return…
How is AI transforming drug discovery chemistry?
Imagine you’re trying to find the correct key to unlock a treasure box, but there are billions of keys to…
Derek Nexus for toxicity prediction – What package is right for me?
What is Derek Nexus? Developed by Lhasa Limited, Derek Nexus is an expert-knowledge based system that draws on over 40…
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 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…
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…
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…
Mastering multi-parameter optimisation
Develop advanced MPO strategies and target the right compounds, faster.
We’re diving back into our favourite subject: multi-parameter optimisation.
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 much does drug discovery software cost?
How number of users affect drug discovery software costs The number of people who need access to the platform is…
Finding balance in drug discovery through multi-parameter optimisation
Successful drugs require a delicate balance of many properties, such as potency, ADME and toxicity, to meet a project’s therapeutic objective. To make decisions about compound progression and assay selection, the available data must be assessed against project-specific criteria. However, the data on which we base our decisions often come from different sources and can vary in quality, so how can we use this information to make confident decisions? In addition, how can we be sure that the criteria we’re using are the most appropriate?
Optibrium demonstrates accelerated lead optimisation in complex agrochemical development
Optibrium’s QuanSA 3D-QSAR method uses an active learning approach to successfully and more efficiently identify a mimic of a macrocyclic natural product
38th ACS National Medicinal Chemistry Symposium
Join Optibrium’s Chris Khoury at the 38th NMCS meeting in Seattle, 23-26 June
