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Chemical Science
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October 27, 2022
Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies
Kjell Jorner, Tore Brinck, Per-Ola Norrby, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 3, 2018
Solubility prediction from first principles: a density of states approach
Simon Boothroyd, Andy Kerridge, Anders Broo, et al.
Molecular Informatics
|
July 29, 2016
Automated QSAR with a Hierarchy of Global and Local Models
David J Wood, David Buttar, John G Cumming, et al.
Journal of Chemical Information and Modeling
|
March 28, 2006
Scaffold hopping using clique detection applied to reduced graphs
Edward J Barker, David Buttar, David A Cosgrove, et al.
Bioorganic & Medicinal Chemistry
|
September 28, 2010
A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions
David Buttar, Nicola Colclough, Stefan Gerhardt, et al.
The Journal of Organic Chemistry
|
October 15, 2021
Exploration of a Nitromethane-Carbonylation Strategy during Route Design of an Atropisomeric KRAS<sup>G12C</sup> Inhibitor
James J Douglas, Matthew R Tatton, Daniël de Bruin, et al.
Bioorganic & Medicinal Chemistry Letters
|
August 5, 2008
Discovery of imidazole vinyl pyrimidines as a novel class of kinase inhibitors which inhibit Tie-2 and are orally bioavailable
David Buttar, Mike Edge, Steve C Emery, et al.
Bioorganic & Medicinal Chemistry Letters
|
October 27, 2009
Novel thienopyrimidine and thiazolopyrimidine kinase inhibitors with activity against Tie-2 in vitro and in vivo
Richard W A Luke, Peter Ballard, David Buttar, et al.
Bioorganic & Medicinal Chemistry Letters
|
May 22, 2012
Sulfonyl-morpholino-pyrimidines: SAR and development of a novel class of selective mTOR kinase inhibitor
M Raymond V Finlay, David Buttar, Susan E Critchlow, et al.
Journal of Medicinal Chemistry
|
December 16, 2022
Discovery of Clinical Candidate AZD0095, a Selective Inhibitor of Monocarboxylate Transporter 4 (MCT4) for Oncology
Frederick W Goldberg, Jason G Kettle, Gillian M Lamont, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Chemical Science
|
October 27, 2022
Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies
Kjell Jorner, Tore Brinck, Per-Ola Norrby, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 3, 2018
Solubility prediction from first principles: a density of states approach
Simon Boothroyd, Andy Kerridge, Anders Broo, et al.
Molecular Informatics
|
July 29, 2016
Automated QSAR with a Hierarchy of Global and Local Models
David J Wood, David Buttar, John G Cumming, et al.
Journal of Chemical Information and Modeling
|
March 28, 2006
Scaffold hopping using clique detection applied to reduced graphs
Edward J Barker, David Buttar, David A Cosgrove, et al.
Bioorganic & Medicinal Chemistry
|
September 28, 2010
A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions
David Buttar, Nicola Colclough, Stefan Gerhardt, et al.
The Journal of Organic Chemistry
|
October 15, 2021
Exploration of a Nitromethane-Carbonylation Strategy during Route Design of an Atropisomeric KRAS<sup>G12C</sup> Inhibitor
James J Douglas, Matthew R Tatton, Daniël de Bruin, et al.
Bioorganic & Medicinal Chemistry Letters
|
August 5, 2008
Discovery of imidazole vinyl pyrimidines as a novel class of kinase inhibitors which inhibit Tie-2 and are orally bioavailable
David Buttar, Mike Edge, Steve C Emery, et al.
Bioorganic & Medicinal Chemistry Letters
|
October 27, 2009
Novel thienopyrimidine and thiazolopyrimidine kinase inhibitors with activity against Tie-2 in vitro and in vivo
Richard W A Luke, Peter Ballard, David Buttar, et al.
Bioorganic & Medicinal Chemistry Letters
|
May 22, 2012
Sulfonyl-morpholino-pyrimidines: SAR and development of a novel class of selective mTOR kinase inhibitor
M Raymond V Finlay, David Buttar, Susan E Critchlow, et al.
Journal of Medicinal Chemistry
|
December 16, 2022
Discovery of Clinical Candidate AZD0095, a Selective Inhibitor of Monocarboxylate Transporter 4 (MCT4) for Oncology
Frederick W Goldberg, Jason G Kettle, Gillian M Lamont, et al.
Page
of 2