Special Issue "Recent Advances in QSAR/QSPR Theory"

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A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry, Theoretical and Computational Chemistry".

Deadline for manuscript submissions: closed (31 March 2011)

Special Issue Editor

Guest Editor
Prof. Dr. Eduardo A. Castro
INIFTA, Suc.4, C.C. 16, La Plata 1900, Buenos Aires, Argentinia
E-Mail: castro@quimica.unlp.edu.ar
Phone: +54 221 4257430
Fax: +54 221 4254642
Interests: QSAR/QSPR theory; molecular electronic structure; scientific education; scientific and technological research management and organization; scientific communication; the relationship between science and humanities; mathematical and physics and mathematics

Special Issue Information

Dear Colleagues,

I deem that QSAR/QSPR Theory is the Theoretical and Computational Chemistry area which is actually developing at the most quick pace within the Chemistry realm.

This quite interesting development is taking place at the formal and computational levels in such a way that now chemists can resort to this speciality to analyse their experimental results to have a valid and encompassing meaning of the numerical data.

A large number of standard publications register these contributions, but it is also necessary to be able to resort to general overviews documents in order to compare different approaches and meaningful results derived from the application and development of this theory.

This special IJMS issue on some recent advances in QSAR/QSPR theory aims to fulfil this purpose through the presentation of several contributions of some well-known leaders on this field.

Eduardo A. Castro
Guest Editor

Keywords

  • quantitative structure-activity relationships (QSAR)
  • quantitative structure property relationship (QSPR)

Published Papers (21 papers)

by , ,  and
Int. J. Mol. Sci. 2011, 12(8), 5098-5134; doi:10.3390/ijms12085098
Received: 1 June 2011; in revised form: 30 June 2011 / Accepted: 3 August 2011 / Published: 11 August 2011
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by  and
Int. J. Mol. Sci. 2011, 12(7), 4348-4364; doi:10.3390/ijms12074348
Received: 29 March 2011; in revised form: 9 June 2011 / Accepted: 24 June 2011 / Published: 5 July 2011
Show/Hide Abstract | Cited by 3 | PDF Full-text (306 KB) | HTML Full-text | XML Full-text
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by  and
Int. J. Mol. Sci. 2011, 12(5), 3148-3161; doi:10.3390/ijms12053148
Received: 27 February 2011; in revised form: 19 April 2011 / Accepted: 9 May 2011 / Published: 13 May 2011
Show/Hide Abstract | Cited by 27 | PDF Full-text (651 KB) | HTML Full-text | XML Full-text | Supplementary Files

by , , , , , , ,  and
Int. J. Mol. Sci. 2011, 12(5), 2822-2841; doi:10.3390/ijms12052822
Received: 3 February 2011; in revised form: 15 March 2011 / Accepted: 13 April 2011 / Published: 29 April 2011
Show/Hide Abstract | Cited by 6 | PDF Full-text (745 KB) | HTML Full-text | XML Full-text

by , ,  and
Int. J. Mol. Sci. 2010, 11(11), 4326-4347; doi:10.3390/ijms11114326
Received: 7 September 2010; in revised form: 21 September 2010 / Accepted: 29 September 2010 / Published: 2 November 2010
Show/Hide Abstract | Cited by 8 | PDF Full-text (874 KB) | HTML Full-text | XML Full-text | Supplementary Files
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by  and
Int. J. Mol. Sci. 2010, 11(10), 3846-3866; doi:10.3390/ijms11103846
Received: 27 August 2010; in revised form: 17 September 2010 / Accepted: 23 September 2010 / Published: 8 October 2010
Show/Hide Abstract | Cited by 17 | PDF Full-text (403 KB) | HTML Full-text | XML Full-text

by , ,  and
Int. J. Mol. Sci. 2010, 11(10), 3705-3724; doi:10.3390/ijms11103705
Received: 19 July 2010; in revised form: 3 September 2010 / Accepted: 20 September 2010 / Published: 28 September 2010
Show/Hide Abstract | Cited by 7 | PDF Full-text (612 KB) | HTML Full-text | XML Full-text

by , ,  and
Int. J. Mol. Sci. 2010, 11(9), 3434-3458; doi:10.3390/ijms11093434
Received: 3 August 2010; in revised form: 23 August 2010 / Accepted: 27 August 2010 / Published: 20 September 2010
Show/Hide Abstract | Cited by 12 | PDF Full-text (732 KB) | HTML Full-text | XML Full-text

by , ,  and
Int. J. Mol. Sci. 2010, 11(9), 3357-3374; doi:10.3390/ijms11093357
Received: 6 July 2010; Accepted: 3 September 2010 / Published: 17 September 2010
Show/Hide Abstract | Cited by 9 | PDF Full-text (772 KB) | HTML Full-text | XML Full-text

by ,  and
Int. J. Mol. Sci. 2010, 11(9), 3052-3068; doi:10.3390/ijms11093052
Received: 6 July 2010; in revised form: 15 August 2010 / Accepted: 16 August 2010 / Published: 31 August 2010
Show/Hide Abstract | Cited by 3 | PDF Full-text (610 KB) | HTML Full-text | XML Full-text

by ,  and
Int. J. Mol. Sci. 2010, 11(3), 1020-1047; doi:10.3390/ijms11031020
Received: 19 January 2010; Accepted: 5 March 2010 / Published: 8 March 2010
Show/Hide Abstract | Cited by 16 | PDF Full-text (359 KB) | HTML Full-text | XML Full-text

by , , , , ,  and
Int. J. Mol. Sci. 2010, 11(3), 880-895; doi:10.3390/ijms11030880
Received: 22 January 2010; in revised form: 2 February 2010 / Accepted: 3 February 2010 / Published: 2 March 2010
Show/Hide Abstract | Cited by 3 | PDF Full-text (456 KB) | HTML Full-text | XML Full-text

by ,  and
Int. J. Mol. Sci. 2009, 10(7), 3237-3254; doi:10.3390/ijms10073237
Received: 25 May 2009; Accepted: 24 June 2009 / Published: 17 July 2009
Show/Hide Abstract | Cited by 5 | PDF Full-text (223 KB) | HTML Full-text | XML Full-text

by ,  and
Int. J. Mol. Sci. 2009, 10(7), 3106-3127; doi:10.3390/ijms10073106
Received: 14 May 2009; in revised form: 23 June 2009 / Accepted: 2 July 2009 / Published: 8 July 2009
Show/Hide Abstract | Cited by 15 | PDF Full-text (375 KB) | HTML Full-text | XML Full-text | Supplementary Files
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by  and
Int. J. Mol. Sci. 2009, 10(6), 2558-2577; doi:10.3390/ijms10062558
Received: 11 April 2009; in revised form: 19 May 2009 / Accepted: 31 May 2009 / Published: 3 June 2009
Show/Hide Abstract | Cited by 13 | PDF Full-text (186 KB) | HTML Full-text | XML Full-text
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by ,  and
Int. J. Mol. Sci. 2009, 10(5), 2107-2121; doi:10.3390/ijms10052107
Received: 17 April 2009; Accepted: 6 May 2009 / Published: 14 May 2009
Show/Hide Abstract | Cited by 7 | PDF Full-text (237 KB) | HTML Full-text | XML Full-text
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by  and
Int. J. Mol. Sci. 2009, 10(5), 1978-1998; doi:10.3390/ijms10051978
Received: 19 March 2009; Accepted: 28 April 2009 / Published: 29 April 2009
Show/Hide Abstract | Cited by 30 | PDF Full-text (258 KB) | HTML Full-text | XML Full-text

by
Int. J. Mol. Sci. 2009, 10(4), 1628-1657; doi:10.3390/ijms10041628
Received: 17 February 2009; in revised form: 10 April 2009 / Accepted: 14 April 2009 / Published: 17 April 2009
Show/Hide Abstract | Cited by 2 | PDF Full-text (348 KB) | HTML Full-text | XML Full-text

by ,  and
Int. J. Mol. Sci. 2009, 10(4), 1670-1682; doi:10.3390/ijms10041670
Received: 9 January 2009; in revised form: 18 March 2009 / Accepted: 20 March 2009 / Published: 17 April 2009
Show/Hide Abstract | Cited by 10 | PDF Full-text (184 KB) | HTML Full-text | XML Full-text

by , , ,  and
Int. J. Mol. Sci. 2009, 10(3), 1193-1214; doi:10.3390/ijms10031193
Received: 18 January 2009; in revised form: 9 March 2009 / Accepted: 11 March 2009 / Published: 16 March 2009
Show/Hide Abstract | Cited by 13 | PDF Full-text (295 KB) | HTML Full-text | XML Full-text

by  and
Int. J. Mol. Sci. 2009, 10(3), 1031-1044; doi:10.3390/i10031031
Received: 9 February 2009; in revised form: 5 March 2009 / Accepted: 9 March 2009 / Published: 11 March 2009
Show/Hide Abstract | PDF Full-text (67 KB) | HTML Full-text | XML Full-text
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Last update: 26 February 2014

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