• DRAGON

  • Referenced in 14 articles [sw00220]
  • Viviana Consonni of Molecular Descriptors for Chemoinformatics (the most complete reference for descriptors theory...
  • kFOIL

  • Referenced in 12 articles [sw23358]
  • applying kFOIL to well-known benchmarks in chemoinformatics show the promise of the approach...
  • rcdk

  • Referenced in 3 articles [sw24313]
  • Java framework for chemoinformatics. This allows the user to load molecules, evaluate fingerprints, calculate molecular...
  • OCHEM

  • Referenced in 3 articles [sw36342]
  • goal of OCHEM is collecting all possible chemoinformatics tools within one simple, reliable and user...
  • Echem++

  • Referenced in 2 articles [sw06650]
  • extension of the definition of the term chemoinformatics by J. Gasteiger and T. Engel...
  • JChemPaint

  • Referenced in 2 articles [sw26087]
  • editors are central tools in fields like chemoinformatics, computational chemistry and synthetic chemistry. No matter...
  • S2SNet

  • Referenced in 2 articles [sw26347]
  • Sequences into Star Network Topological Indices in Chemoinformatics, Bioinformatics, Biomedical, and Social-Legal Sciences...
  • Warmr

  • Referenced in 2 articles [sw37013]
  • data mining algorithm to be applied to chemoinformatic data. We illustrate the value of Warmr...
  • ChemoPy

  • Referenced in 1 article [sw23811]
  • available python package for computational biology and chemoinformatics. Molecular representation for small molecules has been ... freely available, open-source python package called chemoinformatics in python (ChemoPy) for calculating the commonly...
  • SDTNBI

  • Referenced in 1 article [sw23940]
  • SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions ... chemical entities. SDTNBI incorporates network and chemoinformatics to bridge the gap between new chemical entities...
  • ParMol

  • Referenced in 1 article [sw15010]
  • solve this problem are used in chemoinformatics to find common molecular fragments in a database...
  • R

  • Referenced in 8836 articles [sw00771]
  • R is a language and environment for statistical...
  • LIBSVM

  • Referenced in 1124 articles [sw04879]
  • LIBSVM is a library for Support Vector Machines...
  • AFGen

  • Referenced in 17 articles [sw06325]
  • AFGen is a program that takes as input...
  • KNIME

  • Referenced in 23 articles [sw06790]
  • KNIME - Professional Open-Source Software. KNIME is a...
  • gSpan

  • Referenced in 110 articles [sw11908]
  • gSpan: graph-based substructure pattern mining. We investigate...
  • SimpleMKL

  • Referenced in 63 articles [sw12290]
  • SimpleMKL. Multiple kernel learning (MKL) aims at simultaneously...
  • KEGG

  • Referenced in 265 articles [sw13866]
  • KEGG: Kyoto Encyclopedia of Genes and Genomes. KEGG...
  • CDK

  • Referenced in 9 articles [sw16044]
  • The Chemistry Development Kit (CDK): An open-source...