“In Silico” Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands:  QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests

Journal article

Peer reviewed

A. Varnek, D. Fourches, V. P. SOLOV'E, V. E. Baulin, A. N. Turanov, V. K. Karandashev, D. Fara and A. R. Katritzky

Journal of Chemical Information and Computer Sciences, Vol.44(4), pp.1365-1382

01/07/2004

PMID: 15272845

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Title: “In Silico” Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests
Creators - without role: A. Varnek - Laboratoire d'Infochimie, UMR 7551 CNRS, Université Louis Pasteur,4, rue B. Pascal, Strasbourg 67000, France
D. Fourches - Laboratoire d'Infochimie, UMR 7551 CNRS, Université Louis Pasteur,4, rue B. Pascal, Strasbourg 67000, France
V. P. SOLOV'E - Laboratoire d'Infochimie, UMR 7551 CNRS, Université Louis Pasteur,4, rue B. Pascal, Strasbourg 67000, France
V. E. Baulin - Laboratoire d'Infochimie, UMR 7551 CNRS, Université Louis Pasteur,4, rue B. Pascal, Strasbourg 67000, France
A. N. Turanov - Georgi Nadjakov Institute of Solid State Physics
V. K. Karandashev - Development Agency of Serbia
D. Fara - University of Florida
A. R. Katritzky - University of Florida
Publication Details: Journal of Chemical Information and Computer Sciences, Vol.44(4), pp.1365-1382
Publisher: American Chemical Society
Identifiers: 9935913908331
Academic Unit: King Abdulaziz University
Language: English
Resource Type: Journal article