SCOPUS 정보 검색 플랫폼

Molecular Informatics

Volumn 37, Issue 1, 2018, Pages

De Novo Design of Bioactive Small Molecules by Artificial Intelligence

(4) Merk, Daniel a Friedrich, Lukas a Grisoni, Francesca a,b Schneider, Gisbert a

a ETH ZURICH (Switzerland)

b UNIVERSITY OF MILANO BICOCCA (Italy)

Author keywords

Automation; drug discovery; machine learning; medicinal chemistry; nuclear receptor

Indexed keywords

PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONIST; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR; RETINOID X RECEPTOR;

ARTICLE; ARTIFICIAL INTELLIGENCE; PRIORITY JOURNAL; TRANSFER OF LEARNING; AGONISTS; CHEMISTRY; DRUG DESIGN; HEK293 CELL LINE; HUMAN; MOLECULAR DOCKING; MOLECULAR LIBRARY; PHARMACOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SYNTHESIS;

DEEP LEARNING; DRUG DESIGN; HEK293 CELLS; HUMANS; MOLECULAR DOCKING SIMULATION; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RETINOID X RECEPTORS; SMALL MOLECULE LIBRARIES;

EID: 85042067622 PISSN: 18681743 EISSN: 18681751 Source Type: Journal
DOI: 10.1002/minf.201700153 Document Type: Article

Times cited : (299)

References (22)

1
- 85042122906
- nrd.2017.232
- G. Schneider, Nat. Rev. Drug Discov. 2018, doi: nrd.2017.232.
- Nat. Rev. Drug Discov. , vol.2018
- Schneider, G.¹

2
- 84969628929
- P. Schneider, G. Schneider, J. Med. Chem. 2016, 59, 4077–4086.
- (2016) J. Med. Chem. , vol.59 , pp. 4077-4086
- Schneider, P.¹ Schneider, G.²

3
- 23844449940
- G. Schneider, U. Fechner, U, Nat. Rev. Drug Discov. 2005, 4, 649–663;
- (2005) Nat. Rev. Drug Discov. , vol.4 , pp. 649-663
- Schneider, G.¹ Fechner, U.²

4
- 79952116979
- M. Hartenfeller, G. Schneider, Methods Mol. Biol., 2011, 672, 299–323.
- (2011) Methods Mol. Biol. , vol.672 , pp. 299-323
- Hartenfeller, M.¹ Schneider, G.²

5
- 85028933960
- M. Olivecrona, T. Blaschke, O. Engkvist, H. Chen, J. Cheminform. 2017, 9, 48;
- (2017) J. Cheminform. , vol.9 , pp. 48
- Olivecrona, M.¹ Blaschke, T.² Engkvist, O.³ Chen, H.⁴

6
- 85042065313
- T. Blaschke, M. Olivecrona, O. Engkvist, J. Bajorath, H. Chen, Mol. Inf. 2018, 37, 1700123;
- (2018) Mol. Inf. , vol.37 , pp. 1700123
- Blaschke, T.¹ Olivecrona, M.² Engkvist, O.³ Bajorath, J.⁴ Chen, H.⁵

7
- 85018582391
- T. Miyao, K. Funatsu, Mol. Inf. 2017, 36, 1700030.
- (2017) Mol. Inf. , vol.36 , pp. 1700030
- Miyao, T.¹ Funatsu, K.²

8
- 85042111944
- A. Gupta, A. T. Müller, B. J. H. Huisman, J. A. Fuchs, P. Schneider, G. Schneider, Mol. Inf. 2018, 37, 1700111.
- (2018) Mol. Inf. , vol.37 , pp. 1700111
- Gupta, A.¹ Müller, A.T.² Huisman, B.J.H.³ Fuchs, J.A.⁴ Schneider, P.⁵ Schneider, G.⁶

9
- 0031573117
- S. Hochreiter, J. Schmidhuber, Neural Comput. 1997, 9, 1735–1780.
- (1997) Neural Comput. , vol.9 , pp. 1735-1780
- Hochreiter, S.¹ Schmidhuber, J.²

10
- 84891762026
- A. P. Bento, A. Gaulton, A. Hersey, L. J. Bellis, J. Chambers, M. Davies, F. A. Krüger, Y. Light, L. Mak, S. McGlinchey, M. Nowotka, G. Papadatos, R. Santos, J. P. Overington, Nucleic Acids Res. 2014, 42, 1083–1090; https://www.ebi.ac.uk/chembl/.
- (2014) Nucleic Acids Res. , vol.42 , pp. 1083-1090
- Bento, A.P.¹ Gaulton, A.² Hersey, A.³ Bellis, L.J.⁴ Chambers, J.⁵ Davies, M.⁶ Krüger, F.A.⁷ Light, Y.⁸ Mak, L.⁹ McGlinchey, S.¹⁰ Nowotka, M.¹¹ Papadatos, G.¹² Santos, R.¹³ Overington, J.P.¹⁴

11
- 85024491935
- E. Proschak, P. Heitel, L. Kalinowsky, D. Merk, J. Med. Chem. 2017, 60, 5235–5266.
- (2017) J. Med. Chem. , vol.60 , pp. 5235-5266
- Proschak, E.¹ Heitel, P.² Kalinowsky, L.³ Merk, D.⁴

12
- 33751533155
- P. Germain, P. Chambon, G. Eichele, R. M. Evans, M. A. Lazar, M. Leid, A. R. De Lera, R. Lotan, D. J. Mangelsdorf, H. Gronemeyer, Pharmacol. Rev. 2006, 58, 760–772.
- (2006) Pharmacol. Rev. , vol.58 , pp. 760-772
- Germain, P.¹ Chambon, P.² Eichele, G.³ Evans, R.M.⁴ Lazar, M.A.⁵ Leid, M.⁶ De Lera, A.R.⁷ Lotan, R.⁸ Mangelsdorf, D.J.⁹ Gronemeyer, H.¹⁰

13
- 33751533892
- L. Michalik, J. Auwerx, J. P. Berger, V. K. Chatterjee, C. K. Glass, F. J. Gonzalez, P. A. Grimaldi, T. Kadowaki, M. A. Lazar, S. O'Rahilly, C. N. Palmer, J. Plutzky, J. K. Reddy, B. M. Spiegelman, B. Staels, W. Wahli, Pharmacol. Rev. 2006, 58, 726–741.
- (2006) Pharmacol. Rev. , vol.58 , pp. 726-741
- Michalik, L.¹ Auwerx, J.² Berger, J.P.³ Chatterjee, V.K.⁴ Glass, C.K.⁵ Gonzalez, F.J.⁶ Grimaldi, P.A.⁷ Kadowaki, T.⁸ Lazar, M.A.⁹ O'Rahilly, S.¹⁰ Palmer, C.N.¹¹ Plutzky, J.¹² Reddy, J.K.¹³ Spiegelman, B.M.¹⁴ Staels, B.¹⁵ Wahli, W.¹⁶

14
- 84896525962
- D. Reker, T. Rodrigues, P. Schneider, G. Schneider, Proc. Natl. Acad. Sci. USA 2014, 111, 4067–4072.
- (2014) Proc. Natl. Acad. Sci. USA , vol.111 , pp. 4067-4072
- Reker, D.¹ Rodrigues, T.² Schneider, P.³ Schneider, G.⁴

15
- 84979586933
- D, –D
- S. Kim, P. A. Thiessen, E. E. Bolton, J. Chen, G. Fu, A. Gindulyte, L. Han, J. He, S. He, B. A. Shoemaker, J. Wang, B. Yu, J. Zhang, S. H. Bryant, Nucleic Acids Res. 2016, 44, D1202–D1213; https://pubchem.ncbi.nlm.nih.gov/.
- (2016) Nucleic Acids Res. , vol.44 , pp. 1202-1213
- Kim, S.¹ Thiessen, P.A.² Bolton, E.E.³ Chen, J.⁴ Fu, G.⁵ Gindulyte, A.⁶ Han, L.⁷ He, J.⁸ He, S.⁹ Shoemaker, B.A.¹⁰ Wang, J.¹¹ Yu, B.¹² Zhang, J.¹³ Bryant, S.H.¹⁴

16
- 84976888255
- D, –D
- G. Papadatos, M. Davies, N. Dedman, J. Chambers, A. Gaulton, J. Siddle, R. Koks, S. A. Irvine, J. Pettersson, N. Goncharoff, A. Hersey, J. P. Overington, Nucleic Acids Res. 2016, 44, D1220–D1228; https://www.surechembl.org/.
- (2016) Nucleic Acids Res. , vol.44 , pp. 1220-1228
- Papadatos, G.¹ Davies, M.² Dedman, N.³ Chambers, J.⁴ Gaulton, A.⁵ Siddle, J.⁶ Koks, R.⁷ Irvine, S.A.⁸ Pettersson, J.⁹ Goncharoff, N.¹⁰ Hersey, A.¹¹ Overington, J.P.¹²

17
- 85042132953
- Reaxys
- Reaxys, Elsevier 2017; https://www.reaxys.com/.
- (2017) Reaxys, Elsevier

18
- 84894406433
- Chemical Abstracts Service 2017
- SciFinder, Chemical Abstracts Service 2017; https://scifinder.cas.org/.
- SciFinder, Chemical Abstracts Service

19
- 85030241468
- J. Schmidt, M. Rotter, T. Weiser, S. Wittmann, L. Weizel, A. Kaiser, J. Heering, T. Goebel, C. Angioni, M. Wurglics, A. Paulke, G. Geisslinger, A. Kahnt, D. Steinhilber, E. Proschak, D. Merk, J. Med. Chem. 2017, 60, 7703–7724.
- (2017) J. Med. Chem. , vol.60 , pp. 7703-7724
- Schmidt, J.¹ Rotter, M.² Weiser, T.³ Wittmann, S.⁴ Weizel, L.⁵ Kaiser, A.⁶ Heering, J.⁷ Goebel, T.⁸ Angioni, C.⁹ Wurglics, M.¹⁰ Paulke, A.¹¹ Geisslinger, G.¹² Kahnt, A.¹³ Steinhilber, D.¹⁴ Proschak, E.¹⁵ Merk, D.¹⁶

20
- 0028087742
- M. Boehm, L. Zhang, B. Badea, S. White, D. Mais, E. Berger, C. Suto, M. Goldman, R. Heyman, J. Med. Chem. 1994, 37, 2930–2941.
- (1994) J. Med. Chem. , vol.37 , pp. 2930-2941
- Boehm, M.¹ Zhang, L.² Badea, B.³ White, S.⁴ Mais, D.⁵ Berger, E.⁶ Suto, C.⁷ Goldman, M.⁸ Heyman, R.⁹

21
- 0035821394
- P. Brown, L. Stuart, K. Hurley, M. Lewis, D. Winegar, J. Wilson, W. Wilkison, O. Ittoop, T. Willson, Bioorg. Med. Chem. Lett. 2001, 11, 1225–1227.
- (2001) Bioorg. Med. Chem. Lett. , vol.11 , pp. 1225-1227
- Brown, P.¹ Stuart, L.² Hurley, K.³ Lewis, M.⁴ Winegar, D.⁵ Wilson, J.⁶ Wilkison, W.⁷ Ittoop, O.⁸ Willson, T.⁹

22
- 0033998334
- T. Willson, P. Brown, D. Sternbach, B. Henke, J. Med. Chem. 2000, 43, 527–550.
- (2000) J. Med. Chem. , vol.43 , pp. 527-550
- Willson, T.¹ Brown, P.² Sternbach, D.³ Henke, B.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.