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.
This webinar focused on the design of visualisation software for translational toxicology, with particular reference to the challenges that the many different sources of toxicology data pose.
The dissociation of a proton from a heteroatom has a significant influence on the charge distribution and interactions of a…
In this webinar, presented by our guest, Dr. Franca Klingler from BioSolveIT, we learn how novel search algorithms have been…
Introduction Existing computational models of drug metabolism are heavily focused on predicting oxidation by cytochrome P450 (CYP) enzymes, because of…
Introduction The increasing occurrence of multidrug-resistant bacteria is one of the major global threats to human health. Design of new…
In this webinar we discussed how you can ensure that you don’t miss valuable opportunities due to the criteria used…
These two models calculates the number of sp3 carbons and the total number of carbons compound. These are available to…
This short video gives an introduction to the Activity Landscape analysis tool in StarDrop and how you can view and…
This example is taken from a project in which screening of a diverse library resulted in hits from multiple chemistries.…
This video demonstrates how to format your charts, using the properties in your data set, by colour, size, symbol, transparency.
In this quick video, we show the many ways you can interact with your chart to show exactly the data…
