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01:00:01
Webinar - eSim 3D
In this webinar Dr Ajay Jain discussed eSim-3D, a novel ligand-based drug design approach based on electrostatic-field and surface-shape similarity coupled with unique conformational search capabil...
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01:01:32
Webinar - Phenaris In Silico Transporter Modelling
In this Webinar, Gerhard Ecker outlined computational approaches to predict the transporter interaction profile of compounds in order to minimize the risk of failures in drug development. The metho...
- 38:20
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03:00
Cerella introduction.mp4
Cerella™ employs a cutting-edge deep learning technique to address challenges in drug discovery data, enhancing efficiency and reducing costs. By identifying high-quality compounds with confidence,...
- 02:03:19
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01:03:38
Webinar - A Global Deep Learning Model for Global Health Drug Discovery
We described the generation and validation of a 'global' model using deep learning imputation on a data set of 300,000 compounds and 500 experimental endpoints, targeting global health indications....
- 01:05:54
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01:04:45
Cerella - Deep learning webinar.mp4
Cerella™: Reduce the time and cost of your discovery cycles with deep learning. See how Cerella™ highlights new opportunities and guides more efficient compound optimisation: • Translate AI insigh...
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56:07
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 envir...
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01:02:19
Webinar - Similarity to SAR
In this webinar, led by Peter Hunt and Matt Segall, we discussed a flexible and intuitive framework in which similarity relationships can be interactively navigated to quickly interpret the results...
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07:38
Reaction-based Library Enumeration
Reaction-based enumeration method offers you a user-friendly, flexible workflow for virtual library design, starting from a reaction you like to apply to your chosen set of reagents. The method is ...
- 02:26:09
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02:28:37
Drug Discovery Consultants Day 2020 Part II
Recording of Optibrium's 2020 Drug Discovery Consultants' Day, Part II, featuring StarDrop(TM) research and development.
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01:04:28
Webinar - Predicting PK Parameters and Curves
Accurate predictions of PK would enable better decisions regarding the selection of compounds for in vivo studies, reducing the number of experiments required and the associated cost. But, this is ...
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03:12:25
Drug Discovery Consultants Day 2020 Part I
Recording of Optibrium's 2020 Drug Discovery Consultants' Day, Part I, featuring Augmented Chemistry(TM).
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01:08:58
Webinar - Deploying Cerella for Active Learning
In this webinar we demonstrated how this new platform provides interactive access to deep learning imputation to extract more value from your compound data, confidently target high-quality compound...
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01:16:37
Webinar - StarDrop Introduction and Demo
An overview of Optibrium's software and a live demonstration.
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02:28:42
Symposium - Informatics for Effective Drug Discovery
Informatics for Effective Drug Discovery This symposium was presented by Scott Lyon (Optibrium), Charlie Weatherall (CDD), Jarrod Medeiros (Casma) and E. Adam Kallel (Plexium). Advances in inform...
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58:07
Webinar - Large Scale Imputation of Drug Discovery Data using Deep Learning
In this webinar, we described the application of the Alchemite™ deep learning method for data imputation to a pharma-scale data set and were joined by Dr Scott Rowland of Takeda Pharmaceuticals. W...
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54:41
Webinar - Translational Toxicology: Data visualisation across phases
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. We ou...
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01:16:06
Webinar - Practical Applications of Deep Learning to Imputation of Drug Discovery Data
This webinar was presented by our guest Julian Levell (Constellation Pharmaceuticals) and Ben Irwin (Optibrium). We discussed limitations of pharmaceutical data impacting conventional predictive mo...
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01:05:36
Webinar - Predicting Reactivity to Drug Metabolism: Beyond P450s – Modelling FMOs and UGTs
After the success of the current P450 models it is time to introduce additional enzyme systems to StarDrop and include enzymes from both modification and conjugation phase. In the webinar we introd...
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51:02
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 predi...
- 56:23
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01:38
Modules and Features: Predicting pKa
This short video gives an introduction to the model of pKa in StarDrop's ADME QSAR module. This model combines quantum mechanics and machine learning to accurately predict acid dissociation consta...
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01:12
Modules and Features: SeeSAR Pose
This short video gives an introduction to StarDrop's SeeSAR Pose module that generates compound poses for virtual screening and interactive 3D design using FlexX docking. Fast template docking enab...
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01:47
Modules and Features: SeeSAR Affinity
This short video gives an introduction to StarDrop's SeeSAR Affinity module that uses the award-winning HYDE scoring method to analyse your ligand’s binding affinity, related to free energies with ...
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02:15
Modules and Features: SeeSAR View
This short movie gives an introduction to StarDrop's SeeSAR View module, that enables you to visualise your ligands in their protein environment and identify the key interactions driving binding af...
- 56:40
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48:23
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 ...
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59:54
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 i...
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01:02:00
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.
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44:47
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 avai...
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39:49
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 ...
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07:25
Automatic QSAR Model Building and Validation
This example explores the application of the Auto-Modeller module to build a QSAR model of potency against the Muscurinic Acetylcholine M5 receptor, based on public domain Ki data. The resulting mo...
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04:38
Tutorials: Optimising P450 Metabolic Stability
In this example we will explore the feasibility of pursuing a fast-follower for Buspirone, a 5-HT1A ligand used as an anti-anxiolytic therapeutic, which has a known liability due to rapid metabolis...
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02:36
Hints and Tips: Information-Rich SAR Plots
This short video illustrates how to create information-rich SAR plots, including pie charts, histograms, scatter plots, radar plots, etc. to view property distributions by R-group in StarDrop's dat...
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03:13
Hints and Tips: R-group Clipping
Matt Segall StarDrop's R-group clipping tool enables you to quickly transform chemical building blocks into their corresponding substituents. These can be immediately used to enumerate virtual libr...
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03:10
Hints and Tips: R-group Matched Pair Analysis
This short video illustrates how to perform Matched Molecular Pair Analysis (MMPA) within a chemical series using StarDrop's R-group analysis tool This is quite a specific form of MMPA and you may...
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02:27
Hints and Tips: R-group Analysis
This short demo gives a quick introduction to how StarDrop's R-group analysis functionality can be used to explore the relationships between functional groups at different R-Group positions and a c...
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17:37
Tutorials: NK2-H2L
The objective in this example is to identify one or more high quality chemistries for progression to detailed in vitro and in vivo studies, based on initial screening data for potency; ideally the ...