Research output per year
Research output per year
Search results
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2019
The problem of racemization in drug discovery and tools to predict it
Ballard, A., Narduolo, S., Ahmad, H. O., Cosgrove, D. A., Leach, A. G. & Buurma, N. J., 3 Jun 2019, In: Expert Opinion on Drug Discovery. 14, 6, p. 527-539Research output: Contribution to journal › Review article › peer-review
Open Access -
2018
Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?
Griffen, E. J., Dossetter, A. G., Leach, A. G. & Montague, S., Jul 2018, In: Drug discovery today. 23, 7, p. 1373-1384Research output: Contribution to journal › Review article › peer-review
Open Access -
2013
Matched Molecular Pair Analysis in drug discovery
Dossetter, A. G., Griffen, E. J. & Leach, A. G., Aug 2013, In: Drug discovery today. 18, 15-16, p. 724-731 8 p.Research output: Contribution to journal › Review article › peer-review
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2012
Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain
Leach, A. G., Pilling, E. A., Rabow, A. A., Tomasi, S., Asaad, N., Buurma, N. J., Ballard, A. & Narduolo, S., May 2012, In: MedChemComm. 3, 5, p. 528-540 13 p.Research output: Contribution to journal › Review article › peer-review
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2009
Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins
Smith, A. J. T., Zhang, X., Leach, A. G. & Houk, K. N., 22 Jan 2009, In: Journal of Medicinal Chemistry. 52, 2, p. 225-233 9 p.Research output: Contribution to journal › Review article › peer-review
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2003
A standard set of pericyclic reactions of hydrocarbons for the benchmarking of computational methods: The performance of ab initio, density functional, CASSCF, CASPT2, and CBS-QB3 methods for the prediction of activation barriers, reaction energetics, and transition state geometries
Guner, V., Khuong, KS., Leach, AG., Lee, PS., Bartberger, MD. & Houk, KN., 25 Dec 2003, In: Journal of Physical Chemistry A. 107, 51, p. 11445-11459 15 p.Research output: Contribution to journal › Review article › peer-review
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Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes
Houk, KN., Leach, AG., Kim, S. P. & Zhang, XY., 2003, In: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 42, 40, p. 4872-4897 26 p.Research output: Contribution to journal › Review article › peer-review
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2002
An unexpected bispericyclic transition structure leading to 4 + 2 and 2 + 4 cycloadducts in the endo dimerization of cyclopentadiene
Leach, A. G. & Houk, K. N., 1 Oct 2002, In: Chemtracts. 15, 11, p. 611-616 6 p.Research output: Contribution to journal › Review article › peer-review
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2000
Multi-step organic synthesis using solid-supported reagents and scavengers: a new paradigm in chemical library generation
Ley, SV., Baxendale, IR., Bream, RN., Jackson, PS., Leach, AG., Longbottom, DA., Nesi, M., Scott, JS., Storer, RI. & Taylor, SJ., 2000, In: Journal of the Chemical Society, Perkin Transactions 1. 23, p. 3815-4195Research output: Contribution to journal › Review article › peer-review