The application of chemical similarity measures in an unconventional modeling framework c-RASAR along with dimensionality reduction techniques to a representative hepatotoxicity dataset
Sign Up to like & getrecommendations! Published in 2024 at "Scientific Reports"
DOI: 10.1038/s41598-024-71892-4
Abstract: With the exponential progress in the field of cheminformatics, the conventional modeling approaches have so far been to employ supervised and unsupervised machine learning (ML) and deep learning models, utilizing the standard molecular descriptors, which… read more here.
Keywords: rasar; modeling framework; model; read across ... See more keywords
Efficient predictions of cytotoxicity of TiO2-based multi-component nanoparticles using a machine learning-based q-RASAR approach
Sign Up to like & getrecommendations! Published in 2023 at "Nanotoxicology"
DOI: 10.1080/17435390.2023.2186280
Abstract: Abstract The availability of experimental nanotoxicity data is in general limited which warrants both the use of in silico methods for data gap filling and exploring novel methods for effective modeling. Read-Across Structure-Activity Relationship (RASAR)… read more here.
Keywords: cytotoxicity tio2; based multi; tio2 based; rasar ... See more keywords