Concepedia

From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions

Villu Ruusmann, Uko Maran

Journal of Computer-Aided Molecular Design · 2013 · 21 citations · 81 references

References

81

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.6K citations

Natural Sciences, Chemistry, Analytical Chemistry +5

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

Denis Fourches, Eugene Muratov, Alexander Tropsha · Journal of Chemical Information and Modeling · 2010 · 807 citations

Pharmacy, Chemistry, Medicinal Chemistry +15

Quantitative structure-activity relationships in fish toxicity studies Part 1: Relationship for 50 industrial pollutants

Hans Könemann · Toxicology · 1981 · 626 citations

Pharmacy, Environmental Sciences, Toxicology +12

Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology

Environment International · 1991 · 386 citations

Pharmacy, Chemistry, Toxicology +16

Quantitative structure–activity relationships (QSARs) in toxicology: a historical perspective

T.W. Schultz, M Cronin, John D. Walker et al. · Journal of Molecular Structure THEOCHEM · 2003 · 247 citations

Pharmacy, Chemistry, Toxicology +12