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Newest Questions
How can I connect StarDrop to Pipeline Pilot?
StarDrop can be connected to Pipeline Pilot in a number of ways. The StarDrop client contains a standard dialogue that allows the user to connect to a Pipeline Pilot server and run protocol, passing data to, and receiving results from, the process. In addition, the ADME QSAR Models can be made avaialble via a web service making them accessible from within a Pipeline Pilot protocol. Take a look at the Downloads section for example Pipeline Pilot protocols that can be run from within StarDrop.
How can I customise StarDrop?
In addition to being able to connect to Pipeline Pilot, StarDrop can be customised using Python scripts. Python scripts can be used to add new models to the StarDrop model server or to add features to the client application. A number of add-ons and example customisations are available in the Downloads section. The examples there highlight most of the available methods but their are many possibilities for different ways to add functionality specific to your own needs. If in doubt about something you'd like to be able to do, let us know in the Forum.
Are StarDrop’s P450 models QSAR models?
No. The P450 models differ from the QSAR models, being based on simulation of the chemical reaction mechanisms which lead to the formation of metabolites. Although experimental data are used to tune the parameters of the model and validate the results, the form of the underlying model is not based on an empirical fit to a training data set and this gives greater transferability across a wide range of chemistry without loss of accuracy. Accurate modeling of the chemical reactions requires quantum mechanical simulations, which are much more computationally expensive than the descriptor calculations employed by QSAR models. Consequently, the P450 metabolism models are significantly slower, taking several minutes per compound. However, identifying the most likely cause of metabolic instability for a compound can help to guide chemical modifications aimed at reducing the vulnerability.
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