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…
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…
Screen for HTS promiscuity with StarDrop HTS Promiscuity Alerts.
This example code shows how to write a custom model using Python. This example can be used to make in-house…