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2004 | 1 |
2005 | 1 |
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Page 1
Assessing synthetic accessibility of chemical compounds using machine learning methods.
J Chem Inf Model. 2010 Jun 28;50(6):979-91. doi: 10.1021/ci900301v.
J Chem Inf Model. 2010.
PMID: 20536191
Common pharmacophore identification using frequent clique detection algorithm.
Podolyan Y, Karypis G.
Podolyan Y, et al.
J Chem Inf Model. 2009 Jan;49(1):13-21. doi: 10.1021/ci8002478.
J Chem Inf Model. 2009.
PMID: 19072298
Free PMC article.
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Double-proton transfer in adenine-thymine and guanine-cytosine base pairs. A post-Hartree-Fock ab initio study.
Gorb L, Podolyan Y, Dziekonski P, Sokalski WA, Leszczynski J.
Gorb L, et al. Among authors: podolyan y.
J Am Chem Soc. 2004 Aug 18;126(32):10119-29. doi: 10.1021/ja049155n.
J Am Chem Soc. 2004.
PMID: 15303888
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Rare tautomer hypothesis supported by theoretical studies: ab initio investigations of prototropic tautomerism in the N-methyl-p base.
Podolyan Y, Gorb L, Leszczynski J.
Podolyan Y, et al.
J Phys Chem A. 2005 Nov 17;109(45):10445-50. doi: 10.1021/jp0550412.
J Phys Chem A. 2005.
PMID: 16833342
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