by Marina Chenery | Oct 15, 2009 | In Silico Modelling, Publications and presentations
Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility Summary In this study, our researchers combined an automatic model generation process for building QSAR models with the Gaussian Processes machine learning method. The...
by Marina Chenery | Oct 15, 2009 | In Silico Modelling, Publications and presentations
This article explores ADMET property prediction by QSAR methods. Property prediction is one of the key uses of our StarDrop suite of integrated software. Discover modules such as ADME QSAR, Auto-Modeller and P450 to find out more about how StarDrop supports ADMET...
by Marina Chenery | Oct 13, 2009 | Drug Discovery Applications, Publications and presentations
Poster: Guiding the Decision-Making Process to Identify High Quality Compounds Defining a property profile is subjective and often leads to lengthy, interdisciplinary discussions about the criteria and their relevance. For example, is it worth sacrificing some potency...
by Marina Chenery | Oct 13, 2009 | Drug Discovery Applications, Publications and presentations
Poster: Application of in Silico (ADMEnsa Interactive) and ADME/PK Assays in the Identification of New Chemical Entities (NCEs) for Pre-Clinical Evaluation The current paradigm of drug discovery utilising chemical library synthesis coupled with high throughput...
by Marina Chenery | Oct 13, 2009 | Drug Discovery Applications, Publications and presentations
Predictive ADME Models in Drug Discovery: Can You Trust Them? Can You Afford Not To? In this presentation, Alan Beresford discusses drug discovery and considers how ADME models fit into the process as a step necessary for helping to manage the numbers game. Alan...