jaypat87/HTdescR: Hammett-Taft type sigma descriptor calculator
Version 0.1.0

Hammett-Taft descriptor calculator with mismatch tolerant maximum common substructure (fMCS) based fragment substitution algorithm. It also includes machine learning methods to estimate hydrolysis rate constants.

Getting started

Package details

AuthorJay M. Patel
Bioconductor views Cheminformatics
MaintainerJay M. Patel <[email protected]>
LicenseArtistic-2.0
Version0.1.0
URL http://jaympatel.com
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
install.packages("devtools")
library(devtools)
install_github("jaypat87/HTdescR")
jaypat87/HTdescR documentation built on June 15, 2018, 8:16 a.m.