Abstract
‘Embedded’ activity data describes the situation where active compounds cluster together, with inactives dispersed. There is thus a centre of activity and moving away from this centre results in a decrease in activity. This may be observed, for example, in a plot of molecular weight against log P where, to retain activity, compounds must fall in a specific size and hydrophobicity window. From our experience, embedded relationships tend to occur in complex biological test systems such as cellular or in vivo assays.
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© 2000 Springer Science+Business Media New York
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Wood, J., Rose, V.S. (2000). Rank Distance Clustering — A New Method for the Analysis of Embedded Activity Data. In: Gundertofte, K., Jørgensen, F.S. (eds) Molecular Modeling and Prediction of Bioactivity. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4141-7_119
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DOI: https://doi.org/10.1007/978-1-4615-4141-7_119
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