Hit discovery

We explore the exciting new features in the latest release of StarDrop, built to elevate your drug discovery projects. These include the all-new Metabolism module; high performance virtual screening; additional workflow improvements

Learn more about how AI, machine learning and other computational tools can support the discovery process, bringing you feasible synthetic routes to your target compounds.

In the face of growing agrochemical resistance and increasingly stringent regulatory requirements, how can artificial intelligence (AI) be harnessed to help lower the costs, failure rates and timelines associated with current agrochemical development cycles?

In this webinar, learn about Cerella’s unique AI methods, see examples of its successful application throughout the drug discovery process and watch a demonstration of how CDD Vault and Cerella connect to seamlessly integrate with your workflows.

In this webinar, we examine the effective use of QSAR modelling in drug discovery and discuss a variety of pain points for medicinal chemists in knowing when a model can be trusted and how to avoid common pitfalls.

In this webinar, Jeff Blaney (Senior Director of Discovery Chemistry, Genentech), Darren Green (Head of Cheminformatics & Data Science, GlaxoSmithKline), Julian Levell (Head of Discovery, New Equilibrium Biosciences), Matthew Segall (CEO, Optibrium) discuss the state of AI in early drug discovery from hit to preclinical candidate and share their experiences with and expectations of AI, including predictive modelling, synthesis prediction, and generative chemistry. Hear about the successes of AI drug discovery and an outlook on what AI needs to achieve to really transform the industry.​

In this webinar, we explore the highlights of collaborative project results that demonstrate how every phase of the drug discovery process can be radically improved by applying proven AI technology. Providing scientists with insights on which to base decisions can identify valuable new opportunities and reduce the time and cost of AI drug discovery cycles.

We review case studies from collaborations with Constellation Pharmaceuticals, AstraZeneca, Genentech, the University of Dundee and Takeda Pharmaceuticals to validate the impact of applying AI to experimental data and illustrate dramatic improvements to their project outcomes.

Join Samar Mahmoud and Matt Segall for this fascinating deep dive into the revolution that AI is bringing to the challenges of sparse and noisy drug discovery data.

In this webinar, we demonstrate how Inspyra™ creates a seamless blend of your expertise and unique AI that fits naturally within your workflow. It helps you to rigorously explore many optimisation strategies and quickly identify high-quality compounds for your projects.

In this webinar, we look at how we can use data visualisation in an impactful and effective way to communicate many dimensions of information. We illustrate some of the ways that we can achieve this and discuss visual methods to guide our decisions in drug discovery.

In this webinar, we present eSim3D, a novel ligand-based drug design approach based on electrostatic-field and surface-shape similarity coupled with unique conformational search capabilities, offering unprecedented accuracy and performance.