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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 teams, where many specialists must join forces to generate and analyse lots of different data, in complex multi-step processes?
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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...
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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? In this webinar, Dr Matt Segall and Dr Michael Parker explore ...
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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 metabolism issues – these are just a few of the challenging tasks assigned to DMPK scientists. How can we best tackle th...
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Matched Series Analysis
In this worked example, we use StarDrop's Nova module to identify new derivatives that are likely to improve activity at their target, given the SAR already generated on a project. If you'd like to try this example for yourself, PDF instructions and data files for StarDrop can be found in the t...
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How to be a great drug discovery chemist webinar
Do you know what it takes to become a truly great drug discovery chemist? 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 ov...
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Integrated prediction of phase I and II metabolism
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. Watch as they discuss: • The processes and key enzymes involved in phase I and II drug metabolism • State-of-the-art method...
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AI Synthesis Prediction webinar_capt
Synthesis prediction in drug discovery workflows. 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.
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StarDrop7.4_HeatMaps
In StarDrop you can display heat maps for the properties contributing to an MPO score. We’ve extended this capability by adding a feature that lets you colour StarDrop data sets based on any property values. This enables you to highlight interesting compounds and data and explore your data sets m...
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Predicting Pharmacokinetics
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. Find out more about: • The challenges we face in using data in drug discovery ...
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FMC webinar
In the face of growing agrochemical resistance and increasingly stringent regulatory requirements, how can AI be harnessed to help lower the costs, failure rates and timelines associated with current agrochemical development cycles? During the webinar, our presenters draw on case study evidence t...
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GenerativeChemistry webinar
Have advances in AI and deep learning reached a threshold whereby generative chemistry methods are redefining drug design? In this webinar, our panel of experts discuss their experiences of method development, real-life application and the advances being made.
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Virtual Screening
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?
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CDD Vault and Cerella.mp4
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.
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Inspyra.mp4
This worked example uses Inspyra™ to interactively explore optimisation strategies to achieve a selective inhibitor of DPP-4 with appropriate physicochemical properties. Starting from a data set of compounds representing three chemical series based on pyrrolidine, cyanopyrrolidine, piperazine and...
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Inspyra_with_MSA.mp4
In this worked example, we will explore ways to use the Inspyra Panel, in combination with Matched Series Analysis (MSA). MSA goes beyond Matched Pair Analysis and uses longer series of matched compounds to propose new substitutions that are likely to improve activity.
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QSAR modelling webinar.mp4
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.
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AI in early drug discovery.mp4
This panel 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 and an outlook on what AI needs to ac...
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AI solutions webinar 10 May.mp4
AI Solutions from Hit to Candidate – Tackling the challenges of drug discovery data. 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 ins...
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StarDrop 7.2 - Inspyra (short).mp4
In this webinar we will 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.
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Generative Chemistry webinar.mp4
Why have generative chemistry methods not redefined modern drug discovery and compound idea generation? This session will shed light on a typical shortcoming of generative methods related to how to prioritise promising over unsuitable directions for exploration.
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3D Ligand-based drug design.mp4
In this webinar, we demonstrate intuitive workflows for 3D ligand-based drug design, allowing you to; • Enable 3D design, even with little or no target structure information • Find novel active compounds with 3D virtual screening against known actives • Understand 3D SAR with industry-leading pos...
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