Concepedia

Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource

Dmitry Filimonov, Alexey A. Lagunin, Tatyana A. Gloriozova, Anastasia V. Rudik, Pavel V. Pogodin, Vladimir Poroikov

Chemistry of Heterocyclic Compounds · 2014 · 1.3K citations · 77 references

DOI

Concepts

References

77

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

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PASS: prediction of activity spectra for biologically active substances

Alexey A. Lagunin, Alla Stepanchikova, Vladimir Poroikov · Bioinformatics · 2000 · 1.1K citations · Full text

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Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited

A. E. Dalby, James G. Nourse, W. Douglas Hounshell et al. · Journal of Chemical Information and Computer Sciences · 1992 · 647 citations

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Robustness of Biological Activity Spectra Predicting by Computer Program PASS for Noncongeneric Sets of Chemical Compounds

Vladimir Poroikov, Dmitry Filimonov, Yu. V. Borodina et al. · Journal of Chemical Information and Computer Sciences · 2000 · 254 citations

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PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser

Vladimir Poroikov, Wolf‐Dietrich Ihlenfeldt, Tatyana A. Gloriozova et al. · Journal of Chemical Information and Computer Sciences · 2002 · 236 citations

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