Additional StarDrop Physchem Property Models

Additional StarDrop Physchem Property Models We’ve built and validated QSAR models of seven physicochemical property endpoints, based on data made available by the US Environmental Protection Agency as part of its Toxicity Evaluation Software Tool...

Number of Carbons

Number of Carbons These two models calculates the number of sp3 carbons and the total number of carbons compound. These are available to enable the calculation of properties such as saturation – the ratio of sp3 carbons to the total number of carbons (Lovering...

Number of Aromatic Rings

Number of Aromatic Rings This calculates the number of aromatic rings in a compound. This has been proposed by Ritchie and Macdonald as a characteristic that is inidcative of the developability of a compound (Ritchie and Macdonald (2009), Drug Discov. Today 14 pp....