Changes in version 1.2.0: NEW FEATURES o speed improvements NEW
FEATURES o ieInit now accepts a SNOW cluster for parallel
inserts NEW FEATURES o allow compounds to be updated in-place by
name NEW FEATURES o eiQuery can now return similarity values
instead of distances Changes in version 1.0.0: NEW FEATURES o
The eiR packages introduces efficient methods for accelerating
structure similarity searches and clustering of very large
compound datasets. The acceleration is achieved by applying
embedding and indexing techniques to represent chemical
compounds in a high-dimensional Euclidean space and to employ
ultra-fast pre-screening of the compound dataset using the LSH-
assisted nearest neighbor search in the embedding space. This
method can drastically reduce the search time of large
databases, by a factor of 40–200 fold when searching for the 100
closest compounds to a query.