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Develop advanced MPO strategies and target the right compounds, faster.

We’re diving back into our favourite subject: multi-parameter optimisation.

Interested in improving your binding mode predictions? Surflex-Dock is a unique method for molecular docking, offering automatic pipelines for ensemble docking, applicable to both small molecules and large peptidic macrocycles alike.

Everyone knows smooth collaboration can speed up successful drug discovery projects. But how can we collaborate easily in drug discovery…

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?

Macrocycles are becoming increasingly popular in drug discovery, due to their vast potential against previously “undruggable” targets. But the size…

Watch industry leaders from Novartis, Apollo Therapeutics and Eikon Therapeutics as they discuss their highs and lows, experience and advice,…

Interpreting metabolite-ID experiments; determining the right species for animal studies; providing optimisation suggestions for your medicinal chemistry colleagues to overcome…

Ann and Ajay discuss the science behind and applications of the eSim molecular similarity method, a ligand-based drug design approach which considers surface-shape, electrostatics, and directionally sensitive hydrogen-bonding when comparing two molecules.

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

Watch our panel of experts as they discuss tactics to achieve success in your medicinal chemistry projects, experiences they’ve had and advice they would give. Learn about the key challenges today’s drug hunter needs to overcome, the skills it takes to gain success across pharma and biotech, and what the future may hold for this industry.

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.

Now, watch Matt Segall, PhD, CEO at Optibrium, as he introduces a real world case study where we applied deep learning to guide a project, in which potential compounds were displaying good activity profiles but the team wanted to improve their PK profile to achieve better efficacy.

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?

Have advances in AI and deep learning reached a threshold whereby generative chemistry methods are redefining drug design? This webinar…

Virtual screening presents a host of challenges, especially where little or no structural information on targets is available. So how can we best set our screening strategies up for success?

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.