Publications & Patents2021-10-08T09:12:04+00:00

Publications & Patents

Accelerating the life sciences ecosystem

Publications

Publications

2021

2020

2018

2017

2016

2015

2014

2013

2012

2011

2010

2009

2008

2007

2006

2005

2004

2003

2002

2001

2000

1995-1999

MedChemica Publication by Year
Most highly cited indicated with ‡.

Patents

Patents

Cyanocyclopropylcarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases

37. Cyanocyclopropylcarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases. Dossetter, Alexander Graham; Heron, Nicola Murdoch PCT Int. Appl. (2008), WO 2009001129.

2017-11-07T15:42:29+00:00

1,2-Cyclohexanedicarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases

36. 1,2-Cyclohexanedicarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases. Dossetter, Alexander Graham; Heron, Nicola Murdoch. PCT Int. Appl. (2008), WO 2009001128.

2017-11-07T15:43:01+00:00

Cyanocyclopropylcarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases

35. Cyanocyclopropylcarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases. Crawford, James John; Dossetter, Alexander Graham; Finlayson, Jonathan Erle; Heron, Nicola Murdoch. PCT Int. Appl. (2008), WO 2009001127.

2017-11-07T15:44:25+00:00

Preparation of amide-indoles as antagonists of gonadotropin releasing hormone (GnRH)

34. Preparation of amide-indoles as antagonists of gonadotropin releasing hormone (GnRH).      Wardleworth, James Michael; Dossetter, Alexander Graham; Halsall, Christopher Thomas.  (Astrazeneca AB, Swed.; Astrazeneca UK Limited).    PCT Int. Appl. (2002), 61 pp.  WO 2002092565  

2017-11-07T15:45:00+00:00

Preparation of 6H-thieno[2,3-b]pyrrole derivatives as antagonists of gonadotropin-releasing hormone (GnRh) for treating sex hormone related conditions

33. Preparation of 6H-thieno[2,3-b]pyrrole derivatives as antagonists of gonadotropin-releasing hormone (GnRh) for treating sex hormone related conditions.      Foote, Kevin Michael; Matusiak, Zbigniew; Dossetter, Alexander Graham; Arnould, Jean Claude; Lamorlette, Maryannick Andree; Delouvrie, Benedicte; Hamon, Annie.  (AstraZeneca AB, Swed.; AstraZeneca UK Limited).    PCT Int. Appl.  (2004),     215 pp.   WO2004018480  A1 

2017-11-07T15:45:32+00:00

Amine derivatives of imidazo[1,2-a]pyridine useful as antagonists of gonadotropin releasing hormone

32. Amine derivatives of imidazo[1,2-a]pyridine useful as antagonists of gonadotropin releasing hormone.      Dossetter, Alexander Graham; Kenny, Peter; McKerrecher, Darren; Wardleworth, Michael.  (Astrazeneca AB, Swed.; Astrazeneca UK Limited).    PCT Int. Appl. (2002), WO2002066478

2017-11-07T15:45:57+00:00

Preparation of substituted imidazopyridines for antagonizing gonadotropin releasing hormone activity

31. Preparation of substituted imidazopyridines for antagonizing gonadotropin releasing hormone activity.      Dossetter, Alexander Graham; Kenny, Peter; McKerrecher, Darren; Wardleworth, Michael.  (Astrazeneca AB, Swed.; Astrazeneca UK Limited).    PCT Int. Appl. (2002), 98 pp. WO2002066477A2  

2017-11-07T15:46:23+00:00

Preparation of cyanoguanidinoethylindoles GnRH antagonists

30. Preparation of cyanoguanidinoethylindoles GnRH antagonists.      Wardleworth, Michael; Dossetter, Alexander Graham; Halsall, Chris T.  (Astrazeneca AB, Swed.; Astrazeneca UK Limited).    PCT Int.Appl. (2002), 65 pp. WO2002066459  

2017-11-07T15:46:46+00:00

Catalytic asymmetric cycloaddition reactions of dienes and aldehydes

29. Catalytic asymmetric cycloaddition reactions of dienes and aldehydes.      Jacobsen, Eric N.; Schaus, Scott E.; Dossetter, Alexander G.; Jamison, Timothy F.  (Harvard University, USA).    U.S.  (2001), 39 pp., US 6,130,340. 

28. Asymmetric cycloaddition reactions using transition metal chiral Schiff base complexes.      Jacobsen, Eric N.; Schaus, Scott E.; Dossetter, Alexander G.; Jamison, Timothy F.  WO 2000050365A1  

2017-11-07T15:47:10+00:00

4-Amino-7,8-Dihydropyrimido[5,4-F][1,4]Oxazepin-5(6h)-One Based Dgat1 Inhibitors

27. 4-Amino-7,8-Dihydropyrimido[5,4-F][1,4]Oxazepin-5(6h)-One Based Dgat1 Inhibitors Birch, A. M.; Goldberg, F. W.; Leach, A. WO 2011121350.

2017-11-07T15:47:32+00:00

Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1

26. Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1  Bennett, S. N. L.; Goldberg, F. W.; Leach, A.; Whittamore, P. R. O.; Sörme, P. US20110092526.

2017-11-07T15:47:55+00:00

Pyrazine Carboxamides As Inhibitors Of DGAT1

25. Pyrazine Carboxamides As Inhibitors Of DGAT1 Birch, A. M.; Butlin, R. J.; Campbell, L.; Green, C.; Leach, A.; Murray, P. M.; Ryberg, P. O.; Waring, M. J. WO/2010/146395.

2017-11-07T15:48:24+00:00

Substituted Pyrimidin-5-Carboxamides

24. Substituted Pyrimidin-5-Carboxamides Gill, A. L.; Leach, A.; Packer, M.; Scott, J. S.; Sörme, P.; Swales, J. G.; Whittamore, P. R. O. WO/2009/130496.

2017-11-07T15:48:45+00:00

Carbamoyl compounds as DGAT1 inhibitors

23. Carbamoyl compounds as DGAT1 inhibitors. Bauer, U. A.; Birch, A. M.; Butlin, R. B.; Green, C.; Barlind, J. G.; Hovland, R.; Johannesson, P.; Leach, A.; Noeske, A. T.; Petersson, A. U. WO/2009/081195

2017-11-07T15:49:10+00:00

Pyrrolo [2, 3 -d] pyrimidin derivatives as protein kinase B inhibitors

22. Pyrrolo [2, 3 -d] pyrimidin derivatives as protein kinase B inhibitors. Johnson, P. D.; Leach, A; Luke, R. W. A.; Matusiak,  Z. S.; Morris, J. J. WO/2009/047/563.

2017-11-07T15:49:31+00:00

Substituted piperidines having protein kinase inhibiting activity

21. Substituted piperidines having protein kinase inhibiting activity Woodhead, S. J.; Frederickson, M.; Hamlett, C.; Woodhead, A. J.; Verdonk, M. L.; Sore, H. F.; Walker, D. W.; Blurton, P.; Collins, I.; Cheung, K. M.; Caldwell, J.; Da Fonseca Mchardy, T. F.; Luke, R. W. A.; Matusiak, Z. S.; Leach, A.; Morris, J. J. WO/2008/075109.

2017-11-07T15:49:54+00:00

Piperidine derivatives for the treatment of obesity

20. Piperidine derivatives for the treatment of obesity Butlin, R. J.; Caulkett, P. W. R.; Leach, A.; Newcombe, N. J.; O’Donnell, C. J.; Wood, J. M. WO/2008/075077.

2017-11-07T15:50:19+00:00

Piperidine derivatives for the treatment of obesity

19. Piperidine derivatives for the treatment of obesity Butlin, R. J.; Caulkett, P. W. R.; Leach, A.; Newcombe, N. J.; O’Donnell, C. J.; Wood, J. M. WO/2008/075064.

2017-11-07T15:50:43+00:00

Sulfonamide derivatives for therapeutic use as fatty acid synthase inhibitors

18. Sulfonamide derivatives for therapeutic use as fatty acid synthase inhibitors Butlin, R. J.; Caulkett, P. W. R.; Johanesson, P.; Knerr, L. D.; Leach, A.; Newcombe, N. J.; O’Donnell, C. J.; Pointon, H.; Wood, J. M. WO/2008/075070.

2017-11-07T15:51:26+00:00

Pyrimidine derivatives as EphB4 inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer

17. Pyrimidine derivatives as EphB4 inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer. Kettle, J. G.; Read, J.; Leach, A.; Barlaam, B. C.; Ducray, R.; Lambert-Van der Brampt, C. M. P. WO/2007/085833.

2017-11-07T15:51:51+00:00

Preparation of acylamino dibenzothiophenes as DNA-PK inhibitors

16. Preparation of acylamino dibenzothiophenes as DNA-PK inhibitors
Frigerio, Mark; Hummersone, Marc Geoffrey; Menear, Keith Allan; Finlay, Maurice Raymond Verschoyle; Griffen, Edward Jolyon; Ruston, Linette Lys; Morris, Jeffrey James; Ting, Attila Kuan Tsuei; Golding, Bernard Thomas; Griffin, Roger John; et al WO 2010136778 A1.

2017-11-07T15:52:16+00:00

Preparation of 2-benzimidazolyl-6-morpholino-4-(piperidin-4-yl)pyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease

15. Preparation of 2-benzimidazolyl-6-morpholino-4-(piperidin-4-yl)pyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease
Butterworth, Sam; Griffen, Edward Jolyon; Pass, Martin WO 2008032072 A1.

2017-11-07T15:52:48+00:00

Preparation of 2-benzimidazolyl-6-morpholino-4-heterocyclylpyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease

14. Preparation of 2-benzimidazolyl-6-morpholino-4-heterocyclylpyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease
Butterworth, Sam; Griffen, Edward Jolyon; Pass, Martin WO 2008032028 A1.

2017-11-07T15:53:11+00:00

Preparation of 2-benzimidazolyl-6-morpholino-4-phenylpyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease

13. Preparation of 2-benzimidazolyl-6-morpholino-4-phenylpyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease Butterworth, Sam; Griffen, Edward Jolyon; Pass, Martin WO 2008032086 A1.

2017-11-07T15:53:34+00:00

Preparation of 4-benzimidazolyl-2-morpholino-6-piperazinyl-pyrimidine derivatives as PI3K and mTOR kinase inhibitors for the treatment of proliferative disorder

12. Preparation of 4-benzimidazolyl-2-morpholino-6-piperazinyl-pyrimidine derivatives as PI3K and mTOR kinase inhibitors for the treatment of proliferative disorder Butterworth, Sam; Griffen, Edward Jolyon; Hill, George Beresford; Pass, Martin WO 2008032033 A1.

2017-11-07T15:53:56+00:00
Conference Talks

Conference Talks

“A Field Manual for Medicinal Chemistry: Towards Real AI in Drug Hunting?” Leventhal Lecture at CUP XX

Keynote lecture at Openeye Scientific’s CUP XX meeting

Presented by Dr Ed Griffen March 11th 2020.

Available with notes on slideshare.

2020-03-19T09:45:17+00:00

Accelerating lead optimisation with active learning by exploiting MMPA based ADMET knowledge with regression forest potency models

Poster presented by Dr Ed Griffen at the 15th German Conference on Cheminformatics in Mainz, November 2019.

Available on slideshare.

2019-11-07T15:11:45+00:00

Understanding Patent SAR by network analysis

Applying graph methodology to the relationships between patent compounds described by matched molecular pair analysis we can extract critical compounds within patents, the relationships between patents and even model potency.

Poster presented at the RSC 2018 kinase meeting on slideshare

2019-07-18T11:37:23+00:00

Virtual Toxicity Panels to Aid the medicinal chemist

Poster presented on interpretable machine learning methods to model critical toxicities and provide clear guidance to the medicinal chemist.

Poster on slideshare

2019-07-18T11:33:31+00:00
Publications

Publications

2021

2020

2018

2017

2016

2015

2014

2013

2012

2011

2010

2009

2008

2007

2006

2005

2004

2003

2002

2001

2000

1995-1999

MedChemica Publication by Year
Most highly cited indicated with ‡.

Patents

Patents

Cyanocyclopropylcarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases

37. Cyanocyclopropylcarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases. Dossetter, Alexander Graham; Heron, Nicola Murdoch PCT Int. Appl. (2008), WO 2009001129.

2017-11-07T15:42:29+00:00

1,2-Cyclohexanedicarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases

36. 1,2-Cyclohexanedicarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases. Dossetter, Alexander Graham; Heron, Nicola Murdoch. PCT Int. Appl. (2008), WO 2009001128.

2017-11-07T15:43:01+00:00

Cyanocyclopropylcarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases

35. Cyanocyclopropylcarboxamides as cathepsin inhibitors and their preparation and use in the treatment of diseases. Crawford, James John; Dossetter, Alexander Graham; Finlayson, Jonathan Erle; Heron, Nicola Murdoch. PCT Int. Appl. (2008), WO 2009001127.

2017-11-07T15:44:25+00:00

Preparation of amide-indoles as antagonists of gonadotropin releasing hormone (GnRH)

34. Preparation of amide-indoles as antagonists of gonadotropin releasing hormone (GnRH).      Wardleworth, James Michael; Dossetter, Alexander Graham; Halsall, Christopher Thomas.  (Astrazeneca AB, Swed.; Astrazeneca UK Limited).    PCT Int. Appl. (2002), 61 pp.  WO 2002092565  

2017-11-07T15:45:00+00:00

Preparation of 6H-thieno[2,3-b]pyrrole derivatives as antagonists of gonadotropin-releasing hormone (GnRh) for treating sex hormone related conditions

33. Preparation of 6H-thieno[2,3-b]pyrrole derivatives as antagonists of gonadotropin-releasing hormone (GnRh) for treating sex hormone related conditions.      Foote, Kevin Michael; Matusiak, Zbigniew; Dossetter, Alexander Graham; Arnould, Jean Claude; Lamorlette, Maryannick Andree; Delouvrie, Benedicte; Hamon, Annie.  (AstraZeneca AB, Swed.; AstraZeneca UK Limited).    PCT Int. Appl.  (2004),     215 pp.   WO2004018480  A1 

2017-11-07T15:45:32+00:00

Amine derivatives of imidazo[1,2-a]pyridine useful as antagonists of gonadotropin releasing hormone

32. Amine derivatives of imidazo[1,2-a]pyridine useful as antagonists of gonadotropin releasing hormone.      Dossetter, Alexander Graham; Kenny, Peter; McKerrecher, Darren; Wardleworth, Michael.  (Astrazeneca AB, Swed.; Astrazeneca UK Limited).    PCT Int. Appl. (2002), WO2002066478

2017-11-07T15:45:57+00:00

Preparation of substituted imidazopyridines for antagonizing gonadotropin releasing hormone activity

31. Preparation of substituted imidazopyridines for antagonizing gonadotropin releasing hormone activity.      Dossetter, Alexander Graham; Kenny, Peter; McKerrecher, Darren; Wardleworth, Michael.  (Astrazeneca AB, Swed.; Astrazeneca UK Limited).    PCT Int. Appl. (2002), 98 pp. WO2002066477A2  

2017-11-07T15:46:23+00:00

Preparation of cyanoguanidinoethylindoles GnRH antagonists

30. Preparation of cyanoguanidinoethylindoles GnRH antagonists.      Wardleworth, Michael; Dossetter, Alexander Graham; Halsall, Chris T.  (Astrazeneca AB, Swed.; Astrazeneca UK Limited).    PCT Int.Appl. (2002), 65 pp. WO2002066459  

2017-11-07T15:46:46+00:00

Catalytic asymmetric cycloaddition reactions of dienes and aldehydes

29. Catalytic asymmetric cycloaddition reactions of dienes and aldehydes.      Jacobsen, Eric N.; Schaus, Scott E.; Dossetter, Alexander G.; Jamison, Timothy F.  (Harvard University, USA).    U.S.  (2001), 39 pp., US 6,130,340. 

28. Asymmetric cycloaddition reactions using transition metal chiral Schiff base complexes.      Jacobsen, Eric N.; Schaus, Scott E.; Dossetter, Alexander G.; Jamison, Timothy F.  WO 2000050365A1  

2017-11-07T15:47:10+00:00

4-Amino-7,8-Dihydropyrimido[5,4-F][1,4]Oxazepin-5(6h)-One Based Dgat1 Inhibitors

27. 4-Amino-7,8-Dihydropyrimido[5,4-F][1,4]Oxazepin-5(6h)-One Based Dgat1 Inhibitors Birch, A. M.; Goldberg, F. W.; Leach, A. WO 2011121350.

2017-11-07T15:47:32+00:00

Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1

26. Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1  Bennett, S. N. L.; Goldberg, F. W.; Leach, A.; Whittamore, P. R. O.; Sörme, P. US20110092526.

2017-11-07T15:47:55+00:00

Pyrazine Carboxamides As Inhibitors Of DGAT1

25. Pyrazine Carboxamides As Inhibitors Of DGAT1 Birch, A. M.; Butlin, R. J.; Campbell, L.; Green, C.; Leach, A.; Murray, P. M.; Ryberg, P. O.; Waring, M. J. WO/2010/146395.

2017-11-07T15:48:24+00:00

Substituted Pyrimidin-5-Carboxamides

24. Substituted Pyrimidin-5-Carboxamides Gill, A. L.; Leach, A.; Packer, M.; Scott, J. S.; Sörme, P.; Swales, J. G.; Whittamore, P. R. O. WO/2009/130496.

2017-11-07T15:48:45+00:00

Carbamoyl compounds as DGAT1 inhibitors

23. Carbamoyl compounds as DGAT1 inhibitors. Bauer, U. A.; Birch, A. M.; Butlin, R. B.; Green, C.; Barlind, J. G.; Hovland, R.; Johannesson, P.; Leach, A.; Noeske, A. T.; Petersson, A. U. WO/2009/081195

2017-11-07T15:49:10+00:00

Pyrrolo [2, 3 -d] pyrimidin derivatives as protein kinase B inhibitors

22. Pyrrolo [2, 3 -d] pyrimidin derivatives as protein kinase B inhibitors. Johnson, P. D.; Leach, A; Luke, R. W. A.; Matusiak,  Z. S.; Morris, J. J. WO/2009/047/563.

2017-11-07T15:49:31+00:00

Substituted piperidines having protein kinase inhibiting activity

21. Substituted piperidines having protein kinase inhibiting activity Woodhead, S. J.; Frederickson, M.; Hamlett, C.; Woodhead, A. J.; Verdonk, M. L.; Sore, H. F.; Walker, D. W.; Blurton, P.; Collins, I.; Cheung, K. M.; Caldwell, J.; Da Fonseca Mchardy, T. F.; Luke, R. W. A.; Matusiak, Z. S.; Leach, A.; Morris, J. J. WO/2008/075109.

2017-11-07T15:49:54+00:00

Piperidine derivatives for the treatment of obesity

20. Piperidine derivatives for the treatment of obesity Butlin, R. J.; Caulkett, P. W. R.; Leach, A.; Newcombe, N. J.; O’Donnell, C. J.; Wood, J. M. WO/2008/075077.

2017-11-07T15:50:19+00:00

Piperidine derivatives for the treatment of obesity

19. Piperidine derivatives for the treatment of obesity Butlin, R. J.; Caulkett, P. W. R.; Leach, A.; Newcombe, N. J.; O’Donnell, C. J.; Wood, J. M. WO/2008/075064.

2017-11-07T15:50:43+00:00

Sulfonamide derivatives for therapeutic use as fatty acid synthase inhibitors

18. Sulfonamide derivatives for therapeutic use as fatty acid synthase inhibitors Butlin, R. J.; Caulkett, P. W. R.; Johanesson, P.; Knerr, L. D.; Leach, A.; Newcombe, N. J.; O’Donnell, C. J.; Pointon, H.; Wood, J. M. WO/2008/075070.

2017-11-07T15:51:26+00:00

Pyrimidine derivatives as EphB4 inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer

17. Pyrimidine derivatives as EphB4 inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer. Kettle, J. G.; Read, J.; Leach, A.; Barlaam, B. C.; Ducray, R.; Lambert-Van der Brampt, C. M. P. WO/2007/085833.

2017-11-07T15:51:51+00:00

Preparation of acylamino dibenzothiophenes as DNA-PK inhibitors

16. Preparation of acylamino dibenzothiophenes as DNA-PK inhibitors
Frigerio, Mark; Hummersone, Marc Geoffrey; Menear, Keith Allan; Finlay, Maurice Raymond Verschoyle; Griffen, Edward Jolyon; Ruston, Linette Lys; Morris, Jeffrey James; Ting, Attila Kuan Tsuei; Golding, Bernard Thomas; Griffin, Roger John; et al WO 2010136778 A1.

2017-11-07T15:52:16+00:00

Preparation of 2-benzimidazolyl-6-morpholino-4-(piperidin-4-yl)pyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease

15. Preparation of 2-benzimidazolyl-6-morpholino-4-(piperidin-4-yl)pyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease
Butterworth, Sam; Griffen, Edward Jolyon; Pass, Martin WO 2008032072 A1.

2017-11-07T15:52:48+00:00

Preparation of 2-benzimidazolyl-6-morpholino-4-heterocyclylpyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease

14. Preparation of 2-benzimidazolyl-6-morpholino-4-heterocyclylpyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease
Butterworth, Sam; Griffen, Edward Jolyon; Pass, Martin WO 2008032028 A1.

2017-11-07T15:53:11+00:00

Preparation of 2-benzimidazolyl-6-morpholino-4-phenylpyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease

13. Preparation of 2-benzimidazolyl-6-morpholino-4-phenylpyrimidine derivatives as PI3K and mTOR inhibitors for treatment of proliferative disease Butterworth, Sam; Griffen, Edward Jolyon; Pass, Martin WO 2008032086 A1.

2017-11-07T15:53:34+00:00

Preparation of 4-benzimidazolyl-2-morpholino-6-piperazinyl-pyrimidine derivatives as PI3K and mTOR kinase inhibitors for the treatment of proliferative disorder

12. Preparation of 4-benzimidazolyl-2-morpholino-6-piperazinyl-pyrimidine derivatives as PI3K and mTOR kinase inhibitors for the treatment of proliferative disorder Butterworth, Sam; Griffen, Edward Jolyon; Hill, George Beresford; Pass, Martin WO 2008032033 A1.

2017-11-07T15:53:56+00:00
Conference Talks

Conference Talks

“A Field Manual for Medicinal Chemistry: Towards Real AI in Drug Hunting?” Leventhal Lecture at CUP XX

Keynote lecture at Openeye Scientific’s CUP XX meeting

Presented by Dr Ed Griffen March 11th 2020.

Available with notes on slideshare.

2020-03-19T09:45:17+00:00

Accelerating lead optimisation with active learning by exploiting MMPA based ADMET knowledge with regression forest potency models

Poster presented by Dr Ed Griffen at the 15th German Conference on Cheminformatics in Mainz, November 2019.

Available on slideshare.

2019-11-07T15:11:45+00:00

Understanding Patent SAR by network analysis

Applying graph methodology to the relationships between patent compounds described by matched molecular pair analysis we can extract critical compounds within patents, the relationships between patents and even model potency.

Poster presented at the RSC 2018 kinase meeting on slideshare

2019-07-18T11:37:23+00:00

Virtual Toxicity Panels to Aid the medicinal chemist

Poster presented on interpretable machine learning methods to model critical toxicities and provide clear guidance to the medicinal chemist.

Poster on slideshare

2019-07-18T11:33:31+00:00
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