Generative topographic mapping (GTM) approach is used to visualize the chemical space of
organic molecules (L) with respect to binding a wide range of 41 different metal cations (M)
and also to build predictive models for stability constants (log K) of 1: 1 (M: L) complexes
using “density maps,”“activity landscapes,” and “selectivity landscapes” techniques. A two-
dimensional map describing the entire set of 2962 metal binders reveals the selectivity and
promiscuity zones with respect to individual metals or groups of metals with similar chemical …

… Generative topographic mapping (GTM) approach is used to visualize the chemical space of
organic molecules (L) with respect to binding a wide range of 41 different metal cations (M) and
also to b uild predictive models for stability constants (logK) of 1:1 (M:L) complexes using
“density maps,” “activity landscapes,” and “selectivity landscapes” techniques. A two-dimensional
map describing the entire set of 2962 metal binders reveals the selectivity and promiscuity
zones with respect to individual metals or groups of metals with similar chemical properties …