Transparency in Modeling through Careful Application of OECD's QSAR/QSPR Principles via a Curated Water Solubility Data Set.
Sign Up to like & getrecommendations! Published in 2023 at "Chemical research in toxicology"
DOI: 10.1021/acs.chemrestox.2c00379
Abstract: The need for careful assembly, training, and validation of quantitative structure-activity/property models (QSAR/QSPR) is more significant than ever as data sets become larger and sophisticated machine learning tools become increasingly ubiquitous and accessible to the… read more here.
Keywords: application; qsar qspr; water solubility; water ... See more keywords
Application of Inverse QSAR/QSPR Analysis for Pesticides Structures Generation.
Sign Up to like & getrecommendations! Published in 2019 at "Acta chimica Slovenica"
DOI: 10.17344/acsi.2018.4793
Abstract: The present work has focused on the application of the inverse-QSAR/QSPR problem for generating new structures of pesticides; this is in view of its extremely important and widespread use in several areas, particularly the agricultural… read more here.
Keywords: qsar; inverse qsar; qsar qspr; application inverse ... See more keywords
State of the Art Review and Report of New Tool for Drug Discovery.
Sign Up to like & getrecommendations! Published in 2017 at "Current topics in medicinal chemistry"
DOI: 10.2174/1568026617666170821123856
Abstract: BACKGROUND There are a great number of tools that can be used in QSAR/QSPR studies; they are implemented in several programs that are reviewed in this report. The usefulness of new tools can be proved… read more here.
Keywords: new tool; report; qsar qspr; drug discovery ... See more keywords