Deep learning imputation for peptide bioactivity and property prediction

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.

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...

Webinar - Reaction-based Library Enumeration

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. We were joined by Imants Zudans, CEO of Molport, who described Molports compound sourcing s...

Introduction to StarDrop 6.6

This webinar introduces the exciting new features in StarDrop 6.6, including: A new pKa model, included in the ADME QSAR module, combines quantum mechanics and machine learning to accurately predict acid dissociation constants for your compounds. An extended suite of SeeSAR modules that enhance ...

Capturing and Applying Knowledge.mp4

In this webinar, presented by Matt Segall (Optibrium), we explore how computational methods for capturing and sharing knowledge across domains can augment the experience of drug discovery teams to explore a wide range of optimisation strategies in a rigorous and unbiased way.

Do We Need to Change the Definition of Drug-Like Properties?

Two decades have passed since the rule of five ushered in the concept of “drug-like” properties. Attempts to quantify, correlate, and categorize molecules based on Ro5 parameters evolved into the introduction of efficiency metrics with far reaching consequences in decision making by industry lead...

Webinar: Generating Synthetic Pathways for Target Molecules

This webinar helps you understand how InfoChem’s tools for synthesis planning and reaction prediction enhance the chemist’s personal knowledge in organic synthesis bringing new, unbiased ideas.

Webinar: Using Deep Learning to Impute Protein Activity

Accurate compound bioactivity data are the foundations of decisions on the selection of hits and the progression of compounds in discovery projects. However, in practice, the experimental data available on potential compounds of interest are sparse; for example, the ChEMBL dataset is just 0.05% c...

Webinar: An Introduction to StarDrop 6.5

In this webinar we provided an overview of some of the core capabilities of StarDrop alongside new features introduced in StarDrop 6.5 including: • StarDrop’s new and enhanced data visualisation environment, which offers more chart types, additional formatting options and a streamlined user int...

Hit to Lead Optimisation With the Aid of StarDrop

In this webinar, held on 17 April 2018, Claire Le Manach and Tanya Paquet, (H3D, University of Cape Town) and Dominique Besson (MMV) described their research and the application of StarDrop to the discovery of new anti-malarials.

Webinar: Data visualisation Saying it all in a bite sized chunk

This Webinar was presented by Ed Champness on 6 June 2017. We often use the term “data visualisation” to refer to the creation of plots that enable us to represent tables of numbers in an easily-digestible form and yet we use many visual approaches for representing compounds, targets, assay resu...

Webinar: Collaborative Drug Discovery for the 21st Century

In this webinar, held on 30 November 2016, Barry Bunin, CEO of Collaborative Drug Discovery, describes their CDD Vault software, including Activity & Registration, Visualization, Inventory, and ELN capabilities, which all address today’s markets. He also discusses the latest research from the...

Webinar: Using Cresset's Electrostatics to inform 3D Molecular Design

In this webinar, held on 29 September 2016, Tim Cheesright of Cresset described how they use electrostatics to inform 3D molecular design in their Torch software.

Webinar: Building a Data Analytics Infrastructure That Makes a Difference

In this webinar, held on 28 June 2016, Ashley Fenwick of Zoetis described the strategy they adopted to build a new software infrastructure to support their animal health drug discovery projects, having been spun out of a large pharmaceutical company.

Structure-Based Design on the Chemists’ Desktops

Christian Lemmen, CEO of BioSolveIT, gave this presentation at Optibrium's Drug Discovery Consultants' Day on 18 November 2015. In it, he described the technology underlying BioSolveIT's Hyde scoring function and the SeeSAR application that makes structure-based design accessible on chemists' des...

Webinar: Data Visualisation: New Directions or Just Familiar Routes?

This Webinar was presented by Ed Champness on 28 October 2015. Data visualization tools make it very easy to represent our data graphically and present it in a way that clearly communicates patterns and trends. But, there is a risk that visualizations may be used, in practice, to confirm or just...

Webinar: Beyond Matched Pairs: Applying Matsy to predict new optimisation strategies

In this webinar, held on 14 April 2015, Noel O'Boyle of NextMove Software described how matched series analysis can predict new chemical substitutions that are most likely to improve target activity for your projects.

Webinar: StarDrop's Card View: Break Free from Spreadsheets

This Webinar was presented by Matt Segall on 7th November 2014. StarDrop's new Card View is a ground-breaking and intuitive way to view compounds and their relationships in the context of your discovery projects. It breaks free from restrictive 'chemical spreadsheets' that make it difficult to f...

Fragment-based screening: What can we learn from published hits

This talk was given by Dr Chris Swain, Cambridge MedCem Consulting, at Optibrium's Drug Discovery Consultants' Day - November 2013.

Webinar: The Magic Behind SeeSAR

In this webinar, held on 6 April 2016, Marcus Gastreich of BioSolveIT described the technology underlying their HYDE scoring function and SeeSAR. This also included worked examples to demonstrate how visually informed lead optimisation can save you considerable time, leading to compounds with an ...

Webinar: Protein Ligand Docking with GOLD

In this webinar, held on 13 December 2017, Juliette Pradon, of Cambridge Crystallographic Data Centre describes the science behind the GOLD docking platform and Matt Segall demonstrates the link between StarDrop and GOLD, combining 2D and 3D SAR to guide the design of high quality compounds.

AtlasCBS Script for StarDrop

In this video, Dr Celerino Abad-Zapatero describes his approach for exploring chemico-biological space using Ligand Efficiency variables which is now implemented as a downloadable script add-on for StarDrop.

Webinar: Avoiding Missed Opportunities by Analysing the Sensitivity of our Decisions

We presented this webinar on 24 February 2016, in which we discussed how you can ensure that you don't miss valuable opportunities due to the criteria used to select compounds in your project. We presented a method for analysing the sensitivity of the prioritisation of compounds to a multi-parame...

Webinar: Quantum Mechanical Models of P450 Metabolism to Guide Optimisation of Metabolic Stability

In this webinar, held on 17 June 2015, Jon Tyzack described how quantum mechanical models of P450 metabolism can be used to guide optimization of metabolic stability.

Webinar: Introduction to StarDrop 6.1

This Webinar was presented by Matt Segall on 22 September 2015. StarDrop 6.1 was launched in June, offering a number of new features for users including: Matched Series Analysis within the Nova module. New CYP450 metabolism models. The ability to save and instantly restore StarDrop project sess...

Break Free from Chemical Spreadsheets - Introducing Card View

This webinar was broadcast on 24 November 2014 and introduces Card View, a unique approach to working with compounds and data in the context of a discovery project. This 'breaks free' from chemical spreadsheets to enable you to arrange, stack and link compounds to reflect the way you think about ...