Publications on Similarity etc
- D.L. Cooper
- "Ab initio computation of molecular similarity."
Philippa E. Bowen-Jenkins, David L. Cooper and W. Graham
Richards, J. Phys. Chem. 89, 2195
(1985).
- "A novel approach to molecular similarity." David L. Cooper
and Neil L. Allan, J. Comput.-Aided Mol. Design
3, 253 (1989).
- "Molecular dissimilarity: a momentum-space criterion." David
L. Cooper and Neil L. Allan, J. Am. Chem. Soc.
114, 4773 (1992).
- "A momentum space approach to molecular similarity." Neil L.
Allan and David L. Cooper, J. Chem. Inf. and Comp. Sci.
32, 587 (1992).
- "Molecular similarity of anti-HIV phospholipids." David L.
Cooper, Kath A. Mort, Neil L. Allan, Derek Kinchington and
Christopher McGuigan, J. Am. Chem. Soc.
115, 12615 (1993).
- "Momentum-space electron densities and quantum molecular
similarity." Neil L. Allan and David L. Cooper, in Molecular
similarity edited by K.D. Sen, Topics in Current
Chemistry 173, 85 (1995).
- "Molecular similarity and momentum space." David L. Cooper
and Neil L. Allan, in Molecular Similarity and Reactivity:
From Quantum Chemical to Phenomenological Approaches, edited
R. Carbó (Kluwer Academic Publishers, Netherlands, 1995).
- "Applications of momentum-space similarity." Peter T.
Measures, Katherine A. Mort, Neil L. Allan and David L. Cooper,
J. Comput.-Aided Mol. Design 9, 331
(1995).
- "Making use of how quickly electrons move in molecules."
Peter T. Measures, Neil L. Allan and David L. Cooper, Chem.
Listy 90, 217 (1996).
- "Momentum-space similarity: some recent applications." Peter
T. Measures, Neil L. Allan and David L. Cooper, Advances in
Molecular Similarity 1, 61 (1996).
- "A quantum molecular similarity approach to anti-HIV
activity." Peter T. Measures, Katherine A. Mort, David L. Cooper
and Neil L. Allan, J. Mol. Struct. (THEOCHEM)
423, 113 (1998).
- "Quantum molecular
similarity via momentum-space indices." Neil L. Allan and David
L. Cooper, J. Math. Chem. 23, 51
(1998).
- "Confronting modern valence bond theory with momentum-space
quantum similarity and with pair density analysis." David L.
Cooper, Neil L. Allan and Peter B. Karadakov,
in The fundamentals of molecular similarity, edited by
R. Carbó-Dorca (Kluwer/Plenum, New York, 2001); pp 169-85.
- "Classification of reaction pathways via momentum-space and quantum
molecular similarity measures."
Lluís Amat, Ramon Carbó-Dorca, David L. Cooper and
Neil L. Allan, Chem. Phys. Lett. 367, 207-13 (2003).
- "Structure-property relationships and momentum-space quantities: Hammett
sigma constants." Lluís Amat, Ramon Carbó-Dorca, David L. Cooper,
Neil L. Allan and Robert Ponec, Molec. Phys. 101,
3159-62 (2003).
- "The use of momentum-space descriptors for predicting octanol-water
partition coefficients." Jabir Al-Fahemi, David L. Cooper and Neil L. Allan,
J. Mol. Struct. (THEOCHEM), 727, 57-61 (2005).
- "The quantitative use of momentum-space descriptors." Jabir Al-Fahemi,
David L. Cooper and Neil L. Allan, Chem. Phys. Lett.
416, 376-380 (2005).
- "Investigating the utility of momentum-space descriptors for predicting
blood-brain barrier penetration."
J.H.A. Al-Fahemi, D.L. Cooper and N.L. Allan, J. Mol. Graphics Mod.
26, 607 (2007).
- "Predictions of toxicity to Chlorella vulgaris and the use of
momentum-space descriptors."
J.H.A. Al-Fahemi, D.L. Cooper and N.L. Allan, Croat. Chem. Acta
82 (in press).
- "QSAR using momentum-space and trivial feature count descriptors –
an application to Tetrahymena pyriformis toxicity."
J.H.A. Al-Fahemi, D.L. Cooper and N.L. Allan,
J. Mol. Struct. (THEOCHEM) (in press).