DOI: 10.1021/ci049961d. Topomers: A Validated Protocol for Their Self-Consistent Generation

Topomers: A Validated Protocol for Their Self-Consistent Generation

10.1021/ci049961d

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Information and Computer Sciences (316)

Bibliography

Jilek, R. J., & Cramer, R. D. (2004). Topomers:â A Validated Protocol for Their Self-Consistent Generation. Journal of Chemical Information and Computer Sciences, 44(4), 1221â1227.

Authors 2

Robert J. Jilek (first)
Richard D. Cramer (additional)

References 13 Referenced 76

10.1021/jm960291f / J. Med. Chem by Cramer R. D. (1996)
10.1021/jm000003m / J. Med. Chem by Andrews K. M. (2000)
{'key': 'ci049961db00003/ci049961db00003_1', 'first-page': '1023', 'volume': '6', 'author': 'Cramer R. D.', 'year': '1998', 'journal-title': 'J. Chem. Inf. Comput. Sci'} / J. Chem. Inf. Comput. Sci by Cramer R. D. (1998)
10.1021/jm960290n / J. Med. Chem by Patterson D. E. (1996)
10.1021/jm990159q / J. Med. Chem by Cramer R. D. (1999)
10.1021/jm020194o / J. Med. Chem by Cramer R. D. (2003)
{'key': 'ci049961db00007/ci049961db00007_1', 'volume-title': 'Topomer Similarity Searching of Conventional Databases. J. Mol. Graph. Modeling', 'author': 'Cramer R. D.', 'year': '2002'} / Topomer Similarity Searching of Conventional Databases. J. Mol. Graph. Modeling by Cramer R. D. (2002)
{'key': 'ci049961db00008/ci049961db00008_1', 'first-page': '185', 'volume': '6', 'author': 'Cramer R. D.', 'year': '2001', 'journal-title': 'U.S. Patent'} / U.S. Patent by Cramer R. D. (2001)
“Two atoms or groups that upon replacement with a third group give enantiomers” are denoted as “enantiotopic”. March, J.Advanced OrganicChemistry, Reactions, Mechanisms, and Structure, 4th ed.; John Wiley: NYC, 1991; p 135.
{'key': 'ci049961db00011/ci049961db00011_1', 'volume-title': 'Storage and Manipulation of Fully Flexible Pharmacophore Multiplets and their Use in 3-D Similarity Searching. J. Chem. Inf. Comput. Sci', 'author': 'For', 'year': '2003'} / Storage and Manipulation of Fully Flexible Pharmacophore Multiplets and their Use in 3-D Similarity Searching. J. Chem. Inf. Comput. Sci by For (2003)
{'key': 'ci049961db00013/ci049961db00013_1', 'first-page': '4358', 'volume': '45', 'author': 'Martin Y. C.', 'year': '2002', 'journal-title': 'J. Med. Chem'} / J. Med. Chem by Martin Y. C. (2002)
10.1021/jm960352+ / J. Med. Chem by Matter H (1997)
10.1021/cc000073e / J. Comb. Chem by Martin Y, C (2001)

Dates

Type	When
Created	21 years, 1 month ago (July 26, 2004, 12:26 a.m.)
Deposited	2 years, 5 months ago (March 23, 2023, 6:23 p.m.)
Indexed	1 year ago (Aug. 4, 2024, 9:30 p.m.)
Issued	21 years, 3 months ago (May 22, 2004)
Published	21 years, 3 months ago (May 22, 2004)
Published Online	21 years, 3 months ago (May 22, 2004)
Published Print	21 years, 2 months ago (July 1, 2004)

Funders 0

None

BibTeX

@article{Jilek_2004, title={Topomers: A Validated Protocol for Their Self-Consistent Generation}, volume={44}, ISSN={1520-5142}, url={http://dx.doi.org/10.1021/ci049961d}, DOI={10.1021/ci049961d}, number={4}, journal={Journal of Chemical Information and Computer Sciences}, publisher={American Chemical Society (ACS)}, author={Jilek, Robert J. and Cramer, Richard D.}, year={2004}, month=may, pages={1221–1227} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        8,
        5
      ]
    ],
    "date-time": "2024-08-05T01:30:26Z",
    "timestamp": 1722821426531
  },
  "reference-count": 13,
  "publisher": "American Chemical Society (ACS)",
  "issue": "4",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2004,
        7,
        1
      ]
    ]
  },
  "DOI": "10.1021/ci049961d",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2004,
        7,
        26
      ]
    ],
    "date-time": "2004-07-26T04:26:00Z",
    "timestamp": 1090815960000
  },
  "page": "1221-1227",
  "source": "Crossref",
  "is-referenced-by-count": 76,
  "title": "Topomers:\u2009 A Validated Protocol for Their Self-Consistent Generation",
  "prefix": "10.1021",
  "volume": "44",
  "author": [
    {
      "given": "Robert J.",
      "family": "Jilek",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Tripos Inc., 1699 South Hanley Road, St. Louis, Missouri 63144"
        }
      ]
    },
    {
      "given": "Richard D.",
      "family": "Cramer",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Tripos Inc., 1699 South Hanley Road, St. Louis, Missouri 63144"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2004,
        5,
        22
      ]
    ]
  },
  "reference": [
    {
      "key": "ci049961db00001/ci049961db00001_1",
      "doi-asserted-by": "crossref",
      "first-page": "3069",
      "DOI": "10.1021/jm960291f",
      "volume": "39",
      "author": "Cramer R. D.",
      "year": "1996",
      "journal-title": "J. Med. Chem"
    },
    {
      "key": "ci049961db00002/ci049961db00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "1740",
      "DOI": "10.1021/jm000003m",
      "volume": "43",
      "author": "Andrews K. M.",
      "year": "2000",
      "journal-title": "J. Med. Chem"
    },
    {
      "key": "ci049961db00003/ci049961db00003_1",
      "first-page": "1023",
      "volume": "6",
      "author": "Cramer R. D.",
      "year": "1998",
      "journal-title": "J. Chem. Inf. Comput. Sci"
    },
    {
      "key": "ci049961db00004/ci049961db00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "60",
      "DOI": "10.1021/jm960290n",
      "volume": "39",
      "author": "Patterson D. E.",
      "year": "1996",
      "journal-title": "J. Med. Chem"
    },
    {
      "key": "ci049961db00005/ci049961db00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "3933",
      "DOI": "10.1021/jm990159q",
      "volume": "42",
      "author": "Cramer R. D.",
      "year": "1999",
      "journal-title": "J. Med. Chem"
    },
    {
      "key": "ci049961db00006/ci049961db00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "389",
      "DOI": "10.1021/jm020194o",
      "volume": "46",
      "author": "Cramer R. D.",
      "year": "2003",
      "journal-title": "J. Med. Chem"
    },
    {
      "key": "ci049961db00007/ci049961db00007_1",
      "volume-title": "Topomer Similarity Searching of Conventional Databases. J. Mol. Graph. Modeling",
      "author": "Cramer R. D.",
      "year": "2002"
    },
    {
      "key": "ci049961db00008/ci049961db00008_1",
      "first-page": "185",
      "volume": "6",
      "author": "Cramer R. D.",
      "year": "2001",
      "journal-title": "U.S. Patent"
    },
    {
      "key": "ci049961db00010/ci049961db00010_1",
      "unstructured": "\u201cTwo atoms or groups that upon replacement with a third group give enantiomers\u201d are denoted as \u201cenantiotopic\u201d. March, J.Advanced OrganicChemistry, Reactions, Mechanisms, and Structure, 4th ed.; John Wiley:\u2009 NYC, 1991; p 135."
    },
    {
      "key": "ci049961db00011/ci049961db00011_1",
      "volume-title": "Storage and Manipulation of Fully Flexible Pharmacophore Multiplets and their Use in 3-D Similarity Searching. J. Chem. Inf. Comput. Sci",
      "author": "For",
      "year": "2003"
    },
    {
      "key": "ci049961db00013/ci049961db00013_1",
      "first-page": "4358",
      "volume": "45",
      "author": "Martin Y. C.",
      "year": "2002",
      "journal-title": "J. Med. Chem"
    },
    {
      "key": "ci049961db00014/ci049961db00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "1229",
      "DOI": "10.1021/jm960352+",
      "volume": "40",
      "author": "Matter H",
      "year": "1997",
      "journal-title": "J. Med. Chem"
    },
    {
      "key": "ci049961db00015/ci049961db00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "250",
      "DOI": "10.1021/cc000073e",
      "volume": "3",
      "author": "Martin Y, C",
      "year": "2001",
      "journal-title": "J. Comb. Chem"
    }
  ],
  "container-title": "Journal of Chemical Information and Computer Sciences",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/ci049961d",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        3,
        23
      ]
    ],
    "date-time": "2023-03-23T22:23:28Z",
    "timestamp": 1679610208000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/ci049961d"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2004,
        5,
        22
      ]
    ]
  },
  "references-count": 13,
  "journal-issue": {
    "issue": "4",
    "published-print": {
      "date-parts": [
        [
          2004,
          7,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/ci049961d"
  ],
  "URL": "http://dx.doi.org/10.1021/ci049961d",
  "relation": {},
  "ISSN": [
    "0095-2338",
    "1520-5142"
  ],
  "subject": [],
  "container-title-short": "J. Chem. Inf. Comput. Sci.",
  "published": {
    "date-parts": [
      [
        2004,
        5,
        22
      ]
    ]
  }
}