What are the advantages of cloud-based drug discovery software?
We recently published a case study with Amazon Web Services, detailing how we were able to scale our StarDrop platform…
The complexity of collaboration in drug discovery
Everyone knows smooth collaboration can speed up successful drug discovery projects. But how can we collaborate easily in drug discovery…
A practical guide to implementing AI
In this ebook, you’ll discover the key considerations which every leader needs to take in order to successfully implement AI in their drug discovery pipelines.
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?
Enamine screening collection
StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. Enamine’s commercially available screening…
MolPort screening collection
StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. MolPort’s commercially available screening…
eMolecules screening collection
StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. During preparation, each…
An augmented approach to generative chemistry
Generative molecular design provides new exciting avenues of chemical space exploration. But how can we use these methods effectively to assess many optimisation strategies and find the compounds destined for success in our projects?
Join Dr Matt Segall and Dr Michael Parker as they explore state-of-the-art generative chemistry, and discuss the importance of an augmented intelligence approach for successful discovery.
Using StarDrop or Semeta in the AWS environment
This short video provides an orientation for StarDrop and Semeta users at organisations that are subscribing to Optibrium’s hosted services.…
How to be a great drug discovery chemist ebook
Discover the skills, knowledge and tools which are essential for success for today’s drug hunters.
How to run a successful drug discovery team
Watch industry leaders from Novartis, Apollo Therapeutics and Eikon Therapeutics as they discuss their highs and lows, experience and advice,…
Overcoming challenges in drug metabolism: in silico approaches
Interpreting metabolite-ID experiments; determining the right species for animal studies; providing optimisation suggestions for your medicinal chemistry colleagues to overcome…
Single-scaffold R-group analysis
In this quick example, we will look at a single-scaffold R-group analysis to identify any functionalities which are influencing potency. The data…
Optibrium enables collaborative design in its StarDrop platform
The new Idea Tracker capability further improves the efficiency of drug discovery by supporting project management, idea sharing and molecule design tracking
Introduction to Idea Tracker
Want to accelerate your drug discovery with collaborative design and informed decision making? Watch our introduction to Idea Tracker, an…
Transferable machine learning interatomic potential for bond dissociation energy prediction of drug-like molecules
Predicting metabolism at an early stage is important in maximising the chance of a drug’s success. However, accurate, useful models…
Optibrium’s quantum mechanics and machine learning methods predict routes of drug metabolism
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
ScienceCloud access from StarDrop
This script provides the ability to connect directly to ScienceCloud, download data from libraries or saved queries of your choice and…
