Quantitative structure‐property relationship modeling of small organic molecules for solar cells applications
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Chemometrics"
DOI: 10.1002/cem.2957
Abstract: Despite the need of a reliable technology for solar energy harvesting, research on new materials for third generation photovoltaics is slowed down by the diffuse use of trial and error rather than rational material design… read more here.
Keywords: modeling small; quantitative structure; property relationship; relationship modeling ... See more keywords
Hierarchical Quantitative Structure–Activity Relationship Modeling Approach for Integrating Binary, Multiclass, and Regression Models of Acute Oral Systemic Toxicity
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Research in Toxicology"
DOI: 10.1021/acs.chemrestox.9b00259
Abstract: Reliable in silico approaches to replace animal testing for the evaluation of potential acute toxic effects are highly demanded by regulatory agencies. In particular, quantitative structure–activit... read more here.
Keywords: hierarchical quantitative; quantitative structure; relationship modeling; structure ... See more keywords