Topological Polar Surface Area – Including S and P
In J. Med. Chem., 2000, 43 (20), pp 3714–3717, Ertl et al. propose the calculation of two polar surface area values, the first reports the PSA…
HTS promiscuity alerts model
Screen for HTS promiscuity with StarDrop HTS Promiscuity Alerts.
Python custom model code for StarDrop
This example code shows how to write a custom model using Python. This example can be used to make in-house…