Number of carbons
These two models calculates the number of sp3 carbons and the total number of carbons compound. These are available to…
A list and description of the descriptors used by the Auto-Modeller is available in Appendix 17.2 of the StarDrop Reference Guide, which you can find from the Help->Reference Guide menu option in StarDrop.
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More models resources
Shen BBB models
Blood-brain barrier (BBB) penetration is a measure of the ratio between the compound concentration in brain and blood. Good BBB…
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…