Predicting Protein−Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods

Wei Deng; Curt Breneman; Mark J. Embrechts

doi:10.1021/ci034246+

journal article Jan 24, 2004

Predicting Protein−Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods

Wei Deng

Curt Breneman Mark J. Embrechts

Journal of Chemical Information and Computer Sciences Vol. 44 No. 2 pp. 699-703 · American Chemical Society (ACS)

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Citations

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References

Details

Published: Jan 24, 2004
Vol/Issue: 44(2)
Pages: 699-703

Authors

W

Wei Deng

Departments of Chemistry and Decision Sciences and Engineering Systems, Rensselaer Polytechnic Institute, Troy, New York 12180

C

Curt Breneman

Departments of Chemistry and Decision Sciences and Engineering Systems, Rensselaer Polytechnic Institute, Troy, New York 12180

M

Mark J. Embrechts

Departments of Chemistry and Decision Sciences and Engineering Systems, Rensselaer Polytechnic Institute, Troy, New York 12180

Cite This Article

Wei Deng, Curt Breneman, Mark J. Embrechts (2004). Predicting Protein−Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods. Journal of Chemical Information and Computer Sciences, 44(2), 699-703. https://doi.org/10.1021/ci034246+

Predicting Protein−Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods

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