Estimation of pKa using semiempirical molecular orbital methods. Part 2: application to amines, anilines and various nitrogen containing heterocyclic compounds

Benjamin G Tehan; Edward John Lloyd; Margaret G Wong; Will R Pitt; Emanuela Gancia; David T Manallack

doi:10.1002/1521-3838(200211)21:5<473::AID-QSAR473>3.0.CO;2-D

Estimation of pKa using semiempirical molecular orbital methods. Part 2: application to amines, anilines and various nitrogen containing heterocyclic compounds

Benjamin G Tehan, Edward John Lloyd, Margaret G Wong, Will R Pitt, Emanuela Gancia, David T Manallack

Medicinal Chemistry

Research output: Contribution to journal › Article › Research › peer-review

66 Citations (Scopus)

Original language	English
Pages (from-to)	473 - 485
Number of pages	13
Journal	Quantitative Structure-Activity Relationships
Volume	21
Issue number	5
DOIs	https://doi.org/10.1002/1521-3838(200211)21:5<473::AID-QSAR473>3.0.CO;2-D
Publication status	Published - 2002

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10.1002/1521-3838(200211)21:5<473::AID-QSAR473>3.0.CO;2-D

Cite this

Tehan, B. G., Lloyd, E. J., Wong, M. G., Pitt, W. R., Gancia, E., & Manallack, D. T. (2002). Estimation of pKa using semiempirical molecular orbital methods. Part 2: application to amines, anilines and various nitrogen containing heterocyclic compounds. Quantitative Structure-Activity Relationships, 21(5), 473 - 485. https://doi.org/10.1002/1521-3838(200211)21:5<473::AID-QSAR473>3.0.CO;2-D

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title = "Estimation of pKa using semiempirical molecular orbital methods. Part 2: application to amines, anilines and various nitrogen containing heterocyclic compounds",

author = "Tehan, {Benjamin G} and Lloyd, {Edward John} and Wong, {Margaret G} and Pitt, {Will R} and Emanuela Gancia and Manallack, {David T}",

year = "2002",

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Tehan, BG, Lloyd, EJ, Wong, MG, Pitt, WR, Gancia, E & Manallack, DT 2002, 'Estimation of pKa using semiempirical molecular orbital methods. Part 2: application to amines, anilines and various nitrogen containing heterocyclic compounds', Quantitative Structure-Activity Relationships, vol. 21, no. 5, pp. 473 - 485. https://doi.org/10.1002/1521-3838(200211)21:5<473::AID-QSAR473>3.0.CO;2-D

Estimation of pKa using semiempirical molecular orbital methods. Part 2: application to amines, anilines and various nitrogen containing heterocyclic compounds. / Tehan, Benjamin G; Lloyd, Edward John; Wong, Margaret G; Pitt, Will R; Gancia, Emanuela; Manallack, David T.

In: Quantitative Structure-Activity Relationships, Vol. 21, No. 5, 2002, p. 473 - 485.

Research output: Contribution to journal › Article › Research › peer-review

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AU - Tehan, Benjamin G

AU - Lloyd, Edward John

AU - Wong, Margaret G

AU - Pitt, Will R

AU - Gancia, Emanuela

AU - Manallack, David T

PY - 2002

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DO - 10.1002/1521-3838(200211)21:5<473::AID-QSAR473>3.0.CO;2-D

M3 - Article

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EP - 485

JO - Quantitative Structure-Activity Relationships

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SN - 0931-8771

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