DEMOVA
1.0DEvelopment (of Multi-Linear QSPR/QSAR) MOdels VAlidated using Test Set
Overview
Tool for the development of multi-linear QSPR/QSAR models (Quantitative structure-property/activity relationship). Theses models are used in chemistry, biology and pharmacy to find a relationship between the structure of a molecule and its property (such as activity, toxicology but also physical properties). The various functions of this package allows: selection of descriptors based of variances, intercorrelation and user expertise; selection of the best multi-linear regression in terms of correlation and robustness; methods of internal validation (Leave-One-Out, Leave-Many-Out, Y-scrambling) and external using test sets.
Install
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Documentation
- Examples that run
- 100%
- Documented parameters
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- Return-value docs
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- References docs
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Downloads
Dependencies
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Code & Tests
People & History
1 release. R releases are shown for context.
- RR 4.6.0 released · 2026-04-24
- archivedRemoved from CRAN2026-01-20the maintainer's request
- RR 4.5.0 released · 2025-04-11
- RR 4.4.0 released · 2024-04-24
- RR 4.3.0 released · 2023-04-21
- RR 4.2.0 released · 2022-04-22
- RR 4.1.0 released · 2021-05-18
- RR 4.0.0 released · 2020-04-24
- RR 3.6.0 released · 2019-04-26
- RR 3.5.0 released · 2018-04-23
- RR 3.4.0 released · 2017-04-21
- RR 3.3.0 released · 2016-05-03
- 1.02016-03-15
- RR 3.2.0 released · 2015-04-16
Package metadata
- Total releases
- 1
- License
- GPL (>= 2) OSI
- Download size
- not tracked yet
- Installed size
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- With dependencies
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