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…
Why focus on cytochrome P450 enzymes? CYPs are a ubiquitous superfamily of heme-containing monooxygenases responsible for approximately 70–80% of observed…
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…
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.
The joint ISSX/JSSX meeting is for researchers looking to gain a deeper understanding of drug metabolism and pharmacokinetics.
Join Optibrium’s Chris Khoury at the 38th NMCS meeting in Seattle, 23-26 June
Interpreting metabolite-ID experiments; determining the right species for animal studies; providing optimisation suggestions for your medicinal chemistry colleagues to overcome…
Predicting metabolism at an early stage is important in maximising the chance of a drug’s success. However, accurate, useful models…
Peer-reviewed study published in Xenobiotica describes an innovative new method that predicts the routes and products of Phase I and II metabolism with high sensitivity and greater precision than
other approaches
This peer-reviewed paper in Xenobiotica describes a new method to determine the most likely experimentally-observed routes of metabolism and metabolites based on our WhichP450™, regioselectivity and new WhichEnzyme™ model.
Backed by six years’ research, the new StarDrop Metabolism module combines quantum mechanics and machine learning to better predict the metabolic fate of drug candidates.
The Metabolism module enables you to accurately predict the major metabolic routes, sites, products and lability of Phase I and…
This paper describes a model to predict whether a particular site on a molecule will be metabolised by cytosolic sulfotransferase enzymes (SULTs).
Watch Optibrium CEO Matt Segall and Principal Scientist Mario Öeren as they explore groundbreaking new quantum mechanics and machine learning models which go beyond P450s and provide insights on a broad range of enzymes involved in drug metabolism.
Introduction Predicting sites of metabolism (SoM) enable chemists to be more efficient in optimising the structure of new chemical entities…