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fingerprint

Functions to Operate on Binary Fingerprint Data

v3.5.10 · Apr 3, 2026 · GPL | file LICENSE

Description

Functions to manipulate binary fingerprints of arbitrary length. A fingerprint is represented by an object of S4 class 'fingerprint' which is internally represented a vector of integers, such that each element represents the position in the fingerprint that is set to 1. The bitwise logical functions in R are overridden so that they can be used directly with 'fingerprint' objects. A number of distance metrics are also available (many contributed by Michael Fadock). Fingerprints can be converted to Euclidean vectors (i.e., points on the unit hypersphere) and can also be folded using OR. Arbitrary fingerprint formats can be handled via line handlers. Currently handlers are provided for CDK, MOE and BCI fingerprint data.

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r-devel-linux-x86_64-debian-gcc OK
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r-devel-macos-arm64 OK
r-devel-windows-x86_64 OK
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CRAN incoming feasibility

Maintainer: ‘Rajarshi Guha <rajarshi.guha@gmail.com>’

No Authors@R field in DESCRIPTION.
Please add one, modifying
  Authors@R: person(given = "Rajarshi",
                    family = "Guha",
                    role = c("aut", "cre"),
                    email = "rajarshi.guha@gmail.com")
as necessary.
NOTE r-devel-linux-x86_64-debian-clang

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NOTE r-patched-linux-x86_64

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checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-release-linux-x86_64

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Check History

NOTE 0 OK · 14 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE Mar 10, 2026
NOTE r-devel-linux-x86_64-debian-clang

CRAN incoming feasibility

Maintainer: ‘Rajarshi Guha <rajarshi.guha@gmail.com>’

No Authors@R field in DESCRIPTION.
Please add one, modifying
  Authors@R: person(given = "Rajarshi",
                    family = "Guha",
                    role = c("aut", "cre"),
                    email = "rajarshi.guha@gmail.com")
as necessary.
NOTE r-devel-linux-x86_64-debian-gcc

CRAN incoming feasibility

Maintainer: ‘Rajarshi Guha <rajarshi.guha@gmail.com>’

No Authors@R field in DESCRIPTION.
Please add one, modifying
  Authors@R: person(given = "Rajarshi",
                    family = "Guha",
                    role = c("aut", "cre"),
                    email = "rajarshi.guha@gmail.com")
as necessary.
NOTE r-devel-linux-x86_64-fedora-clang

Rd files

checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-devel-linux-x86_64-fedora-gcc

Rd files

checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-devel-macos-arm64

Rd files

checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-devel-windows-x86_64

Rd files

checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-patched-linux-x86_64

Rd files

checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-release-linux-x86_64

Rd files

checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-release-macos-arm64

Rd files

checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-release-macos-x86_64

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NOTE r-release-windows-x86_64

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checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-oldrel-macos-arm64

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checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-oldrel-macos-x86_64

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checkRd: (-1) bitspec.Rd:8: Escaped LaTeX specials: \&
NOTE r-oldrel-windows-x86_64

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Reverse Dependencies (2)

imports

Dependency Network

Dependencies Reverse dependencies RxnSim rcdk fingerprint

Version History

updated 3.5.10 ← 3.5.7 diff Apr 3, 2026
new 3.5.7 Mar 10, 2026
updated 3.5.7 ← 3.5.6 diff Jan 6, 2018
updated 3.5.6 ← 3.5.4 diff Sep 18, 2017
updated 3.5.4 ← 3.5.2 diff Nov 11, 2016
updated 3.5.2 ← 3.5.0.1 diff Oct 27, 2013
updated 3.5.0.1 ← 3.4.9.1 diff Oct 5, 2013
updated 3.4.9.1 ← 3.4.9 diff Apr 4, 2013
updated 3.4.9 ← 3.4.8.1 diff Oct 30, 2012
updated 3.4.8.1 ← 3.4.7 diff Sep 2, 2012
updated 3.4.7 ← 3.4.5 diff Feb 26, 2012
updated 3.4.5 ← 3.4.4 diff Jul 25, 2011
updated 3.4.4 ← 3.4.3 diff Jun 3, 2011
updated 3.4.3 ← 3.4.2 diff Jun 2, 2011
updated 3.4.2 ← 3.4.1 diff Apr 13, 2011
updated 3.4.1 ← 3.4 diff Nov 6, 2010
updated 3.4 ← 3.3.1 diff Oct 20, 2010
updated 3.3.1 ← 3.2 diff Jun 3, 2010
updated 3.2 ← 3.1.2 diff Oct 31, 2009
updated 3.1.2 ← 3.1.1 diff Feb 22, 2009