Concepedia

Estimation of 2D autocorrelation descriptors and 2D Monte Carlo descriptors as a tool to build up predictive models for acetylcholinesterase (AChE) inhibitory activity

José Luís Velázquez‐Libera, Julio Caballero, Alla P. Toropova, Andrey A. Toropov

Chemometrics and Intelligent Laboratory Systems · 2018 · 23 citations · 49 references

DOI

Concepts

References

49

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

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.3K citations

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NOTES ON CONTINUOUS STOCHASTIC PHENOMENA

P. A. P. Moran · Biometrika · 1950 · 6.9K citations

, , +16

The Contiguity Ratio and Statistical Mapping

Roy C. Geary · The Incorporated Statistician · 1954 · 1.6K citations

, , +9

QSAR and 3D QSAR in drug design Part 1: methodology

Hugo Kubinyi · Drug Discovery Today · 1997 · 349 citations

, , +10

Deriving the 3D structure of organic molecules from their infrared spectra

Markus C. Hemmer, Valentin Steinhauer, Johann Gasteiger · Vibrational Spectroscopy · 1999 · 310 citations

, , +7