jaypat87/HTdescR: Hammett-Taft type sigma descriptor calculator
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
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Package details |
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| Author | Jay M. Patel |
| Bioconductor views | Cheminformatics |
| Maintainer | Jay M. Patel <jay@jaympatel.com> |
| License | Artistic-2.0 |
| Version | 0.1.0 |
| URL | http://jaympatel.com |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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