rCDK Performance | Benchmark | Results

title: "Using the CDK from R"author: "Rajarshi Guha"date: "r Sys.Date()"output:rmarkdown::html_vignette:toc: truevignette: >%\VignetteIndexEntry | Introduction | Getting started | Input and Output | Parsing SMILES | Generating SMILES | Visualization | Manipulating Molecules | Adding Information to Molecules | Atoms and Bonds | Substructure matching | Molecular Descriptors | Fingerprints

Introduction | Parsing a Molecule To a Molecular Formula | Initializing a Formula from the Symbol Expression | Generating Molecular Formula | Calculating Isotope Pattern