Package: fingerprint 3.5.7
fingerprint: Functions to Operate on Binary Fingerprint Data
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.
Authors:
fingerprint_3.5.7.tar.gz
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fingerprint.pdf |fingerprint.html✨
fingerprint/json (API)
| # Install 'fingerprint' in R: |
| install.packages('fingerprint', repos = c('https://rajarshi.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/rajarshi/cdkr/issues
Last updated 7 years agofrom:b0fde145c9. Checks:1 OK, 11 NOTE. Indexed: yes.
| Target | Result | Latest binary |
|---|---|---|
| Doc / Vignettes | OK | Mar 19 2025 |
| R-4.5-win-x86_64 | NOTE | Mar 19 2025 |
| R-4.5-mac-x86_64 | NOTE | Mar 19 2025 |
| R-4.5-mac-aarch64 | NOTE | Mar 19 2025 |
| R-4.5-linux-x86_64 | NOTE | Mar 19 2025 |
| R-4.4-win-x86_64 | NOTE | Mar 19 2025 |
| R-4.4-mac-x86_64 | NOTE | Mar 19 2025 |
| R-4.4-mac-aarch64 | NOTE | Mar 19 2025 |
| R-4.4-linux-x86_64 | NOTE | Mar 19 2025 |
| R-4.3-win-x86_64 | NOTE | Mar 19 2025 |
| R-4.3-mac-x86_64 | NOTE | Mar 19 2025 |
| R-4.3-mac-aarch64 | NOTE | Mar 19 2025 |
Exports:balancebci.lfbit.importancebit.spectrumcdk.lfcountcount<-distanceecfp.lfeuc.vectorfeaturefeature<-foldfp.factor.matrixfp.readfp.read.to.matrixfp.sim.matrixfp.to.matrixfps.lfjchem.binary.lfmoe.lfrandom.fingerprintshannon
Dependencies:
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| Generates a String Representation of a Fingerprint | as.character as.character,feature-method as.character,featvec-method as.character,fingerprint-method |
| Generate a Balanced Code Fingerprint | balance |
| Evaluate the Discriminatory Power of Individual Bits in a Binary Fingerprint | bit.importance |
| Generate a Bit Spectrum from a List of Fingerprints | bit.spectrum |
| Combine Multiple Features to Give a List of Features | c,feature-method |
| Functions to parse lines from fingerprint files | bci.lf cdk.lf ecfp.lf fps.lf jchem.binary.lf moe.lf |
| Get or Set Count of Occurence of a Feature | count count,feature-method count-methods count<- count<-,feature,numeric-method count<--methods |
| Calculates the Similarity or Dissimilarity Between Two Fingerprints | distance distance,featvec,featvec,character,missing,missing-method distance,featvec,featvec,missing,missing,missing-method distance,fingerprint,fingerprint,character,missing,missing-method distance,fingerprint,fingerprint,character,numeric,numeric-method distance,fingerprint,fingerprint,missing,missing,missing-method distance-methods |
| Euclidean Representation of Binary Fingerprints | euc.vector |
| Class "feature" | feature-class |
| Get or Set the Character String Representing the Feature | feature feature,feature-method feature-methods feature<- feature<-,feature,character-method feature<--methods |
| Class "featvec" | distance,featvec,featvec,character-method distance,featvec,featvec,missing-method featvec-class length,featvec-method |
| Class "fingerpint" | euc.vector,fingerprint-method fingerprint-class fold,fingerprint-method random.fingerprint,numeric,numeric-method |
| Fold a fingerprint | fold |
| Converts a List of Fingerprints to a data.frame of Factors | fp.factor.matrix |
| Functions to Read Fingerprints From Files | fp.read fp.read.to.matrix |
| Calculates a Similarity Matrix for a Set of Fingerprints | fp.sim.matrix |
| Converts a List of Fingerprints to a Matrix | fp.to.matrix |
| Logical Operators for Fingerprints | ! !,fingerprint-method & &,fingerprint,fingerprint-method xor xor,fingerprint,fingerprint-method | |,fingerprint,fingerprint-method |
| Fingerprint Bit Length | length length,fingerprint-method |
| Generate Randomized Fingerprints | random.fingerprint |
| Evaluate Shannon Entropy for a Set of Fingerprints | entropy shannon |
| String Representation of a Fingerprint or Feature | show,feature-method show,featvec-method show,fingerprint-method |
