Your English writing platform
Free sign upSuggestions(4)
Exact(3)
In this case, we get the minimum distance between the query fingerprint and the templates as the final result.
Finally, a fusion rule will be used to choose a proper distance from a distance set which contains these distances between the query fingerprint and the templates and the distance between the query fingerprint and the centroid as the final score.
This includes storing the fingerprints in the database in a vector of bins [ 6], or in a trie like structure [ 7], such that searching certain bins, or parts of the trie, can be avoided based on an upper-bound on the Tanimoto coefficient between the query fingerprint and all fingerprints in individual bins or subtries.
Similar(57)
Q indicates the query fingerprint, D*1, D*2, D*3 indicate the similarity distance between the query and templates, and D*cindicates the distance between the query and the centroid.
Any bit set to true in the query fingerprint must be set to true in a candidate fingerprint.
The query fingerprint bits are then traversed in descending order of filtering power.
Upon input, it receives set q of fingerprint bits from the first step of the fingerprint reduction algorithm, set A of atoms that are in the query, and mapping M from the query fingerprint bits to corresponding covered atoms.
To search the dataset by shape similarity, the query fingerprint, to extend the analogy, is compared to the dataset fingerprints to find common reference shapes.
One approach is to reduce the number of fingerprints in the database for which the Tanimoto coefficient to the query fingerprint has to be computed explicitly.
In this paper, we present a method which efficiently finds all fingerprints in a database with Tanimoto coefficient to the query fingerprint above a user defined threshold.
The first step of discarding is implemented in the query fingerprinting procedure, and is performed separately for all fingerprint types and repetition encoding.
Write better and faster with AI suggestions while staying true to your unique style.
Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.
Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com