DOI: 10.1021/jm060217p. Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds

Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds

10.1021/jm060217p

Crossref journal-article

American Chemical Society (ACS)

Journal of Medicinal Chemistry (316)

Bibliography

Ertl, P., Jelfs, S., MÃ¼hlbacher, J., Schuffenhauer, A., & Selzer, P. (2006). Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds. Journal of Medicinal Chemistry, 49(15), 4568â4573.

Authors 5

Peter Ertl (first)
Stephen Jelfs (additional)
Jörg Mühlbacher (additional)
Ansgar Schuffenhauer (additional)
Paul Selzer (additional)

References 21 Referenced 231

10.1021/ci00063a008 / J. Chem. Inf. Comput. Sci. by Downs G. M. (1989)
10.1021/ci00030a010 / J. Chem. Inf. Comput. Sci. by Roos-Kozel B. (1981)
{'key': 'jm060217pb00003/jm060217pb00003_1', 'volume-title': 'Scaffold hopping. Drug Discovery Today:\u2009 Techol', 'author': 'Böhm H.-J.', 'year': '2004'} / Scaffold hopping. Drug Discovery Today: Techol by Böhm H.-J. (2004)
10.1021/jm9602928 / J. Med. Chem. by Bemis G. W. (1996)
10.1021/jm960058h / J. Med. Chem. by Gibson S. (1996)
10.1021/ci000144x / J. Chem. Inf. Comput. Sci. by Lipkus A. H (2001)
10.1021/jm0300429 / J. Med. Chem. by Lewell X. Q. (2003)
{'key': 'jm060217pb00008/jm060217pb00008_1', 'first-page': '597', 'volume': '21', 'author': 'Bohl M.', 'year': '2003', 'journal-title': 'Quant. Struct.−Act. Relat.'} / Quant. Struct.−Act. Relat. by Bohl M. (2003)
10.1016/j.jmgm.2004.03.016 / J. Mol. Graphics Modell. by Broughton H. B. (2004)
10.1021/jm049032d / J. Med. Chem. by Wilkens S. J. (2005)
{'key': 'jm060217pb00011/jm060217pb00011_1', 'first-page': '17277', 'volume': '102', 'author': 'Koch M. A.', 'year': '2005', 'journal-title': 'Proc. Natl. Acad. Sci. U.S.A.'} / Proc. Natl. Acad. Sci. U.S.A. by Koch M. A. (2005)
{'key': 'jm060217pb00014/jm060217pb00014_1', 'volume-title': 'version 14.1', 'author': 'Dictionary', 'year': '2005'} / version 14.1 by Dictionary (2005)
10.1126/science.287.5460.1964 / Science by Schreiber S. L (2000)
{'key': 'jm060217pb00016/jm060217pb00016_1', 'first-page': '2145', 'volume': '23', 'author': 'Breinbauer R.', 'year': '2002', 'journal-title': 'Curr. Med. Chem.'} / Curr. Med. Chem. by Breinbauer R. (2002)
{'key': 'jm060217pb00017/jm060217pb00017_1', 'volume-title': "Quest of Tomorrow's Medicines", 'author': 'Drews J.', 'year': '2003'} / Quest of Tomorrow's Medicines by Drews J. (2003)
10.1021/jm000942e / J. Med. Chem. by Ertl P. (2000)
10.1021/cr950202r / Chem. Rev. by Karelson M. (1996)
{'key': 'jm060217pb00024/jm060217pb00024_1', 'first-page': '276', 'volume': '24', 'author': 'Selzer P.', 'year': '2005', 'journal-title': 'Quant. Struct.−Act. Relat.'} / Quant. Struct.−Act. Relat. by Selzer P. (2005)
{'key': 'jm060217pb00025/jm060217pb00025_1', 'volume-title': 'Neural Networks in Chemistry and Drug Design', 'author': 'Zupan J.', 'year': '1999'} / Neural Networks in Chemistry and Drug Design by Zupan J. (1999)
{'key': 'jm060217pb00026/jm060217pb00026_1', 'volume-title': 'Web-based cheminformatics tools deployed via corporate intranets. Drug Discovery Today:\u2009 BIOSILICO', 'author': 'Ertl P.', 'year': '2004'} / Web-based cheminformatics tools deployed via corporate intranets. Drug Discovery Today: BIOSILICO by Ertl P. (2004)
10.1021/ci0255782 / J. Chem. Inf. Comput. Sci. by Ertl P (2003)

Dates

Type	When
Created	19 years, 2 months ago (June 24, 2006, 5:18 a.m.)
Deposited	2 years, 5 months ago (March 24, 2023, 4:23 p.m.)
Indexed	3 weeks ago (Aug. 6, 2025, 8:37 a.m.)
Issued	19 years, 2 months ago (June 24, 2006)
Published	19 years, 2 months ago (June 24, 2006)
Published Online	19 years, 2 months ago (June 24, 2006)
Published Print	19 years, 1 month ago (July 1, 2006)

Funders 0

None

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        6
      ]
    ],
    "date-time": "2025-08-06T12:37:06Z",
    "timestamp": 1754483826105
  },
  "reference-count": 21,
  "publisher": "American Chemical Society (ACS)",
  "issue": "15",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2006,
        7,
        1
      ]
    ]
  },
  "DOI": "10.1021/jm060217p",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2006,
        6,
        24
      ]
    ],
    "date-time": "2006-06-24T09:18:30Z",
    "timestamp": 1151140710000
  },
  "page": "4568-4573",
  "source": "Crossref",
  "is-referenced-by-count": 231,
  "title": "Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds",
  "prefix": "10.1021",
  "volume": "49",
  "author": [
    {
      "given": "Peter",
      "family": "Ertl",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland"
        }
      ]
    },
    {
      "given": "Stephen",
      "family": "Jelfs",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland"
        }
      ]
    },
    {
      "given": "J\u00f6rg",
      "family": "M\u00fchlbacher",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland"
        }
      ]
    },
    {
      "given": "Ansgar",
      "family": "Schuffenhauer",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland"
        }
      ]
    },
    {
      "given": "Paul",
      "family": "Selzer",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2006,
        6,
        24
      ]
    ]
  },
  "reference": [
    {
      "key": "jm060217pb00001/jm060217pb00001_1",
      "doi-asserted-by": "crossref",
      "first-page": "187",
      "DOI": "10.1021/ci00063a008",
      "volume": "29",
      "author": "Downs G. M.",
      "year": "1989",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "jm060217pb00002/jm060217pb00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "111",
      "DOI": "10.1021/ci00030a010",
      "volume": "21",
      "author": "Roos-Kozel B.",
      "year": "1981",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "jm060217pb00003/jm060217pb00003_1",
      "volume-title": "Scaffold hopping. Drug Discovery Today:\u2009 Techol",
      "author": "B\u00f6hm H.-J.",
      "year": "2004"
    },
    {
      "key": "jm060217pb00004/jm060217pb00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "2893",
      "DOI": "10.1021/jm9602928",
      "volume": "39",
      "author": "Bemis G. W.",
      "year": "1996",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "jm060217pb00005/jm060217pb00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "4072",
      "DOI": "10.1021/jm960058h",
      "volume": "39",
      "author": "Gibson S.",
      "year": "1996",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "jm060217pb00006/jm060217pb00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "438",
      "DOI": "10.1021/ci000144x",
      "volume": "41",
      "author": "Lipkus A. H",
      "year": "2001",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "jm060217pb00007/jm060217pb00007_1",
      "doi-asserted-by": "crossref",
      "first-page": "3274",
      "DOI": "10.1021/jm0300429",
      "volume": "46",
      "author": "Lewell X. Q.",
      "year": "2003",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "jm060217pb00008/jm060217pb00008_1",
      "first-page": "597",
      "volume": "21",
      "author": "Bohl M.",
      "year": "2003",
      "journal-title": "Quant. Struct.\u2212Act. Relat."
    },
    {
      "key": "jm060217pb00009/jm060217pb00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "58",
      "DOI": "10.1016/j.jmgm.2004.03.016",
      "volume": "23",
      "author": "Broughton H. B.",
      "year": "2004",
      "journal-title": "J. Mol. Graphics Modell."
    },
    {
      "key": "jm060217pb00010/jm060217pb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "193",
      "DOI": "10.1021/jm049032d",
      "volume": "48",
      "author": "Wilkens S. J.",
      "year": "2005",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "jm060217pb00011/jm060217pb00011_1",
      "first-page": "17277",
      "volume": "102",
      "author": "Koch M. A.",
      "year": "2005",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "jm060217pb00014/jm060217pb00014_1",
      "volume-title": "version 14.1",
      "author": "Dictionary",
      "year": "2005"
    },
    {
      "key": "jm060217pb00015/jm060217pb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "1969",
      "DOI": "10.1126/science.287.5460.1964",
      "volume": "287",
      "author": "Schreiber S. L",
      "year": "2000",
      "journal-title": "Science"
    },
    {
      "key": "jm060217pb00016/jm060217pb00016_1",
      "first-page": "2145",
      "volume": "23",
      "author": "Breinbauer R.",
      "year": "2002",
      "journal-title": "Curr. Med. Chem."
    },
    {
      "key": "jm060217pb00017/jm060217pb00017_1",
      "volume-title": "Quest of Tomorrow's Medicines",
      "author": "Drews J.",
      "year": "2003"
    },
    {
      "key": "jm060217pb00019/jm060217pb00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "3717",
      "DOI": "10.1021/jm000942e",
      "volume": "43",
      "author": "Ertl P.",
      "year": "2000",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "jm060217pb00023/jm060217pb00023_1",
      "doi-asserted-by": "crossref",
      "first-page": "1044",
      "DOI": "10.1021/cr950202r",
      "volume": "96",
      "author": "Karelson M.",
      "year": "1996",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "jm060217pb00024/jm060217pb00024_1",
      "first-page": "276",
      "volume": "24",
      "author": "Selzer P.",
      "year": "2005",
      "journal-title": "Quant. Struct.\u2212Act. Relat."
    },
    {
      "key": "jm060217pb00025/jm060217pb00025_1",
      "volume-title": "Neural Networks in Chemistry and Drug Design",
      "author": "Zupan J.",
      "year": "1999"
    },
    {
      "key": "jm060217pb00026/jm060217pb00026_1",
      "volume-title": "Web-based cheminformatics tools deployed via corporate intranets. Drug Discovery Today:\u2009 BIOSILICO",
      "author": "Ertl P.",
      "year": "2004"
    },
    {
      "key": "jm060217pb00027/jm060217pb00027_1",
      "doi-asserted-by": "crossref",
      "first-page": "380",
      "DOI": "10.1021/ci0255782",
      "volume": "43",
      "author": "Ertl P",
      "year": "2003",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    }
  ],
  "container-title": "Journal of Medicinal Chemistry",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jm060217p",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        3,
        24
      ]
    ],
    "date-time": "2023-03-24T20:23:14Z",
    "timestamp": 1679689394000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jm060217p"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2006,
        6,
        24
      ]
    ]
  },
  "references-count": 21,
  "journal-issue": {
    "issue": "15",
    "published-print": {
      "date-parts": [
        [
          2006,
          7,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jm060217p"
  ],
  "URL": "http://dx.doi.org/10.1021/jm060217p",
  "relation": {},
  "ISSN": [
    "0022-2623",
    "1520-4804"
  ],
  "subject": [],
  "container-title-short": "J. Med. Chem.",
  "published": {
    "date-parts": [
      [
        2006,
        6,
        24
      ]
    ]
  }
}