Select feature -> (1) get example molecules from parts of distribution (2) most common fragments in specific part of distribution
select fragment -> how widely distributed are molecules with the specific fragment? (i.e. if for a descriptor, molecules with the given subject are only found in one part of the distribution, it suggests that that desriptor is related to that fragment)
JJanowiak
commented
2 years ago
Select feature -> (1) get example molecules from parts of distribution (2) most common fragments in specific part of distribution select fragment -> how widely distributed are molecules with the specific fragment? (i.e. if for a descriptor, molecules with the given subject are only found in one part of the distribution, it suggests that that desriptor is related to that fragment)