Rational selection of training and test sets for the development of validated QSAR models von Golbraikh, Alexander, Shen, Min, Xiao, Zhiyan, Xiao, Yun-De, Lee, Kuo-Hsiung, Tropsha, Alexander

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Development and Validation of k-Nearest-Neighbor QSPR Models of Metabolic Stability of Drug Candidates von Shen, Min, Xiao, Yunde, Golbraikh, Alexander, Gombar, Vijay K, Tropsha, Alexander

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QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology von Golbraikh, Alexander, Tropsha, Alexander

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Combinatorial QSAR of Ambergris Fragrance Compounds von Kovatcheva, Assia, Golbraikh, Alexander, Oloff, Scott, Xiao, Yun-De, Zheng, Weifan, Wolschann, Peter, Buchbauer, Gerhard, Tropsha, Alexander

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Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database mining von Medina-Franco, Jose Luis, Golbraikh, Alexander, Oloff, Scott, Castillo, Rafael, Tropsha, Alexander

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Novel Chirality Descriptors Derived from Molecular Topology von Golbraikh, Alexander, Bonchev, Danail, Tropsha, Alexander

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Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis von Golbraikh, Alexander

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Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis von Golbraikh, Alexander, Bonchev, Danail, Tropsha, Alexander

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Validation of protein-based alignment in 3D quantitative structure–activity relationships with CoMFA models von Golbraikh, Alexander, Bernard, Philippe, Chrétien, Jacques R.

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Conformational aspects of antiviral activity of deoxyguanosine acyclic analogues von Golbraikh, A A, Betins, J, Balodis, J, Zhuk, R A, Nikiforovich, G V

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Conformational features responsible for the binding of cyclic analogues of enkephalin to opioid receptors III. Probable binding conformations of μ-agonists with phenylalanine in po... von SHENDEROVICH, MARK D., NIKIFOROVICH, GREGORY V., GOLBRAIKH, ALEXANDER A.

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A molecular mechanism for the cleavage of a disulfide bond as the primary function of agonist binding to G‐protein‐coupled receptors based on theoretical calculations supported by... von Brandt, Wolfgang, Golbraikh, Alexander, Täger, Michael, Lendeckel, Uwe

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Large-scale stratification of the ionosphere during earthquake preparation von Blaunstein, N.

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Conformational features responsible for binding of cyclic analogues of enkephalin to opioid receptors von NJKIFOROVICH, GREGORY V., BALODIS, JURIS, SHENDEROVICH, MARK D., GOLBRAIKH, ALEXANDER A.

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Conformational features responsible for the binding of cyclic analogues of enkephalin to opioid receptors. II. Models of mu- and delta-receptor-bound structures for analogues conta... von Nikiforovich, G V, Golbraikh, A A, Shenderovich, M D, Balodis, J

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Conformational features responsible for binding of cyclic analogues of enkephalin to opioid receptors. I. Low-energy peptide backbone conformers of analogues containing Phe4 von Nikiforovich, G V, Balodis, J, Shenderovich, M D, Golbraikh, A A

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On the Escape of Low-frequency Waves from Magnetospheres of Neutron Stars von Golbraikh, Ephim, Lyubarsky, Yuri

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Momentum transfer and foam production via breaking waves in hurricane conditions von Golbraikh, Ephim, Shtemler, Yuri M.

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Propagation of electromagnetic waves in Kolmogorov and non-Kolmogorov atmospheric turbulence: three-layer altitude model von Zilberman, Arkadi, Golbraikh, Ephim, Kopeika, Norman S

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A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach:  Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR Models von Zhang, Shuxing, Golbraikh, Alexander, Oloff, Scott, Kohn, Harold, Tropsha, Alexander

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