iqspr: Inverse Molecular Design
Version 2.3

Autonomous generation of novel organic compounds with target physicochemical properties initially constrained by the user. This package has the ambition to become an unavoidable tool in the innovation of novel materials and/or drugs with specific target properties.

Package details

AuthorGuillaume Lambard [aut, cre], Hisaki Ikebata [cre], Ryo Yoshida [cre]
Date of publication2017-08-01 04:43:40 UTC
MaintainerGuillaume Lambard <lambard@ism.ac.jp>
LicenseMIT + file LICENSE
Version2.3
Package repositoryView on CRAN
Installation Install the latest version of this package by entering the following in R:
install.packages("iqspr")

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iqspr documentation built on Aug. 1, 2017, 9:02 a.m.