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Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.0c00998
Abstract: In chemography, grid-based maps sample molecular descriptor space by injecting a set of nodes, and then linking them to some regular 2D grid representing the map. They include self-organizing maps (SOMs) and generative topographic maps…
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Keywords:
applicability domain;
trustworthiness;
based map;
map driven ... See more keywords