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Simplex representation of molecular structure as universal QSAR/QSPR tool |
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| Authors: | Kuz’min Victor Artemenko Anatoly Ognichenko Luidmyla Hromov Alexander Kosinskaya Anna Stelmakh Sergij Sessions Zoe L. Muratov Eugene N. |
| Affiliation: | 1.Department of Molecular Structures and Chemoinformatics, A.V. Bogatsky Physical-Chemical Institute NAS of Ukraine, Odessa, 65080, Ukraine ;2.Department of Medical Chemistry, Odessa National Medical University, Odessa, 65082, Ukraine ;3.UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA ;4.Department of Pharmaceutical Sciences, Federal University of Paraiba, Joao Pessoa, PB, 58059, Brazil ; |
| Abstract: | Structural Chemistry - We review the development and application of the Simplex approach for the solution of various QSAR/QSPR problems. The general concept of the simplex method and its... |
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