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.
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…
Have advances in AI and deep learning reached a threshold whereby generative chemistry methods are redefining drug design? This webinar…
This paper describes the prediction of the regioselectivity of metabolism by AOs, FMOs and UGTs for humans and CYPs for three preclinical species.
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, 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, 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 study, we identified a new antimalarial with an unusual structure – the only compound in the competition to be proven active, opening up new chemistry for exploration.
Why have generative chemistry methods been unable to redefine modern drug discovery and compound idea generation?’ In this session we shed light on a typical shortcoming of generative methods related to prioritising promising over unsuitable directions for exploration.
In this webinar, we demonstrate intuitive workflows for 3D ligand-based drug design
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.
In this webinar, we demonstrated how to generate virtual libraries by applying tractable, robust chemical reactions to readily available building blocks in a highly flexible and user-friendly environment.
In this webinar, we present a flexible and intuitive framework in which similarity relationships can be interactively navigated to quickly interpret the results, identify important structure-activity relationships (SAR) and use that SAR in new compound design.
Learn how advances in informatics technology are inspiring a new generation of innovative products that streamline and enhance the efficiency and productivity of drug discovery software.
This webinar describes example applications of multi-parameter optimisation to find high-quality lead compounds.
