DOI: 10.1021/ci100364a. Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection

Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection

10.1021/ci100364a

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Information and Modeling (316)

Bibliography

Cheng, T., Li, Q., Wang, Y., & Bryant, S. H. (2011). Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection. Journal of Chemical Information and Modeling, 51(2), 229â236.

Authors 4

Tiejun Cheng (first)
Qingliang Li (additional)
Yanli Wang (additional)
Stephen H. Bryant (additional)

References 59 Referenced 47

10.1016/S0169-409X(00)00129-0 / Adv. Drug Delivery Rev. by Lipinski C. A. (2001)
10.1038/nrd1032 / Nat. Rev. Drug Discovery by van de Waterbeemd H. (2003)
10.1517/17460441.1.1.31 / Expert Opin. Drug Discovery by Dearden J. C. (2006)
10.1208/aapsj080104 / AAPS J. by Johnson S. R. (2006)
10.1021/ci9901338 / J. Chem. Inf. Comput. Sci. by Huuskonen J. (2000)
10.1021/ci000392t / J. Chem. Inf. Comput. Sci. by Tetko I. V. (2001)
10.1021/ci034184n / J. Chem. Inf. Comput. Sci. by Hou T. J. (2003)
10.1021/ci034107s / J. Chem. Inf. Comput. Sci. by Lind P. (2003)
10.1023/A:1026195503465 / Pharm. Res. by Xia X. (2003)
10.1002/cbdv.200490137 / Chem. Biodiversity by Votano Joseph R. (2004)
10.1021/ci049797u / J. Chem. Inf. Model. by Catana C. (2005)
10.1021/ci049744c / J. Chem. Inf. Model. by Clark M. (2005)
10.1016/j.ijpharm.2006.04.022 / Int. J. Pharm. by Jain N. (2006)
10.1021/ci060164k / J. Chem. Inf. Model. by Palmer D. S. (2006)
10.1021/ci800024c / J. Chem. Inf. Model. by Zhou D. (2008)
10.1021/ci800406y / J. Chem. Inf. Model. by Wang J. (2009)
10.1016/0893-6080(91)90012-T / Neural Networks by Carpenter G. A. (1991)
10.1109/72.159059 / IEEE Trans. Neural Networks by Carpenter G. A. (1992)
10.1021/ci0202741 / J. Chem. Inf. Comput. Sci. by Manallack D. T. (2003)
10.1002/qsar.200610099 / QSAR Comb. Sci. by Fredsted B. (2007)
10.1021/jm701407x / J. Med. Chem. by Lamanna C. (2008)
10.1007/s11030-009-9108-1 / Mol. Diversity by Zhang H. (2009)
10.1021/ci900377e / J. Chem. Inf. Model. by Kramer C. (2010)
10.1023/A:1009715923555 / Data Min. Knowl. Discov. by Burges C. J. C. (1998)
10.1111/j.1747-0285.2009.00840.x / Chem. Biol. Drug Des. by Chen H.-F. (2009)
10.1007/s11030-006-9036-2 / Mol. Diversity by Liao Q. (2006)
10.1002/qsar.200310006 / QSAR Comb. Sci. by Trotter Matthew W. B. (2003)
10.1145/130385.130401 / Proceedings of the fifth annual workshop on Computational learning theory by Boser B. E. (1992)
Vapnik, V. N.The nature of statistical learning theory;Springer-Verlag, Inc.:New York, 1995; p188. (10.1007/978-1-4757-2440-0)
10.1111/j.1747-0285.2009.00930.x / Chem. Biol. Drug Des. by Nisius B. (2010)
10.1093/nar/gkp965 / Nucleic Acids Res. by Wang Y. (2010)
10.1016/j.jpba.2005.11.009 / J. Pharm. Biomed. Anal. by Bhattachar S. N. (2006)
10.1023/A:1016473601633 / Pharm. Res. by Yu L. X. (2002)
10.1021/ci800058v / J. Chem. Inf. Model. by Llinàs A. (2008)
10.1021/ci9800211 / J. Chem. Inf. Comput. Sci. by Willett P. (1998)
10.1021/ci960151e / J. Chem. Inf. Comput. Sci. by McGregor M. J. (1997)
10.1021/ci010132r / J. Chem. Inf. Comput. Sci. by Durant J. L. (2002)
PubChem fingerprint, version 1.3;National Center for Biotechnology Information (NCBI):Bethesda, MD;ftp://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem_fingerprints.txt. Accessed July 13, 2010.
10.1021/ci1000828 / J. Chem. Inf. Model. by Tulp I. (2010)
Open Babel, version 2.2.3;Department of Chemistry, University of Arizonia:Tucson, AZ;http://openbabel.org. Accessed July 13, 2010.
{'key': 'ref41/cit41', 'first-page': '412', 'volume-title': 'Proceedings of the Fourteenth International Conference on Machine Learning', 'author': 'Yang Y.', 'year': '1997'} / Proceedings of the Fourteenth International Conference on Machine Learning by Yang Y. (1997)
{'key': 'ref42/cit42', 'first-page': '1157', 'volume': '3', 'author': 'Guyon I.', 'year': '2003', 'journal-title': 'J. Mach. Learn. Res.'} / J. Mach. Learn. Res. by Guyon I. (2003)
10.1186/1471-2105-7-S2-S12 / BMC Bioinf. by Ding Y. (2006)
10.1093/bioinformatics/btm117 / Bioinformatics by Wood I. A. (2007)
10.1007/978-3-540-35488-8_13 / Feature Extraction by Chen Y.-W. (2006)
LIBSVM, version 2.9.1;http://www.csie.ntu.edu.tw/∼cjlin/libsvm. Accessed on July 13, 2010.
Tang, Y.; Zhang, Y.Q.Granular support vector machines with data cleaning for fast and accurate biomedical binary classification. In Proceedings from2005 IEEE International Conference on Granular Computing,Beijing, China,July 25−27, 2005;IEEE:New York, 2005; pp262−265. (10.1109/GRC.2005.1547281)
10.1093/bioinformatics/btp589 / Bioinformatics by Li Q. (2009)
{'key': 'ref49/cit49', 'first-page': '142', 'volume-title': '15th IEEE International Conference on Tools with Artificial Intelligence', 'author': 'Fröhlich H.', 'year': '2003'} / 15th IEEE International Conference on Tools with Artificial Intelligence by Fröhlich H. (2003)
10.1016/j.eswa.2005.09.024 / Expert Syst. Appl. by Huang C.-L. (2006)
10.1162/089976603321891855 / Neural Comput. by Keerthi S. S. (2003)
10.1109/TSMCB.2008.2002909 / IEEE Trans. Syst. Man Cybern. B: Cybern. by Tang Y. (2009)
10.1093/bioinformatics/btp621 / Bioinformatics by Smialowski P. (2010)
10.1007/s10822-008-9192-9 / J. Comput.-Aided Mol. Des. by Guha R. (2008)
10.1021/ci900286s / J. Chem. Inf. Model. by Hewitt M. (2009)
svm-weight;http://www.csie.ntu.edu.tw/∼cjlin/libsvmtools/calw/. Accessed on July 13, 2010.
10.1021/ci700257y / J. Chem. Inf. Model. by Cheng T. (2007)
10.1023/A:1008715521862 / Perspect. Drug Discovery Des. by Meylan W. (2000)
10.1021/ci800436c / J. Chem. Inf. Model. by Hopfinger A. J. (2008)

Dates

Type	When
Created	14 years, 7 months ago (Jan. 7, 2011, 12:43 p.m.)
Deposited	5 months, 3 weeks ago (March 1, 2025, 9:33 a.m.)
Indexed	1 day, 5 hours ago (Aug. 26, 2025, 2:51 a.m.)
Issued	14 years, 7 months ago (Jan. 7, 2011)
Published	14 years, 7 months ago (Jan. 7, 2011)
Published Online	14 years, 7 months ago (Jan. 7, 2011)
Published Print	14 years, 5 months ago (Feb. 28, 2011)

Funders 1

National Institutes of Health 10.13039/100000002
Region: Americas
gov (National government)
Labels3
1. Institutos Nacionales de la Salud
2. US National Institutes of Health
3. NIH

BibTeX

@article{Cheng_2011, title={Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection}, volume={51}, ISSN={1549-960X}, url={http://dx.doi.org/10.1021/ci100364a}, DOI={10.1021/ci100364a}, number={2}, journal={Journal of Chemical Information and Modeling}, publisher={American Chemical Society (ACS)}, author={Cheng, Tiejun and Li, Qingliang and Wang, Yanli and Bryant, Stephen H.}, year={2011}, month=jan, pages={229–236} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        26
      ]
    ],
    "date-time": "2025-08-26T06:51:12Z",
    "timestamp": 1756191072917,
    "version": "3.38.0"
  },
  "reference-count": 59,
  "publisher": "American Chemical Society (ACS)",
  "issue": "2",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1999,
            1,
            1
          ]
        ],
        "date-time": "1999-01-01T00:00:00Z",
        "timestamp": 915148800000
      },
      "content-version": "vor",
      "delay-in-days": 0,
      "URL": "http://pubs.acs.org/page/policy/authorchoice_termsofuse.html"
    }
  ],
  "funder": [
    {
      "DOI": "10.13039/100000002",
      "name": "National Institutes of Health",
      "doi-asserted-by": "publisher",
      "id": [
        {
          "id": "10.13039/100000002",
          "id-type": "DOI",
          "asserted-by": "publisher"
        }
      ]
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2011,
        2,
        28
      ]
    ]
  },
  "DOI": "10.1021/ci100364a",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2011,
        1,
        7
      ]
    ],
    "date-time": "2011-01-07T17:43:45Z",
    "timestamp": 1294422225000
  },
  "page": "229-236",
  "source": "Crossref",
  "is-referenced-by-count": 47,
  "title": "Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection",
  "prefix": "10.1021",
  "volume": "51",
  "author": [
    {
      "given": "Tiejun",
      "family": "Cheng",
      "sequence": "first",
      "affiliation": [
        {
          "name": "National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, 8600 Rockville Pike, Bethesda, Maryland 20894, United States"
        }
      ]
    },
    {
      "given": "Qingliang",
      "family": "Li",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, 8600 Rockville Pike, Bethesda, Maryland 20894, United States"
        }
      ]
    },
    {
      "given": "Yanli",
      "family": "Wang",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, 8600 Rockville Pike, Bethesda, Maryland 20894, United States"
        }
      ]
    },
    {
      "given": "Stephen H.",
      "family": "Bryant",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, 8600 Rockville Pike, Bethesda, Maryland 20894, United States"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2011,
        1,
        7
      ]
    ]
  },
  "reference": [
    {
      "key": "ref1/cit1",
      "doi-asserted-by": "crossref",
      "first-page": "3",
      "DOI": "10.1016/S0169-409X(00)00129-0",
      "volume": "46",
      "author": "Lipinski C. A.",
      "year": "2001",
      "journal-title": "Adv. Drug Delivery Rev."
    },
    {
      "key": "ref2/cit2",
      "doi-asserted-by": "crossref",
      "first-page": "192",
      "DOI": "10.1038/nrd1032",
      "volume": "2",
      "author": "van de Waterbeemd H.",
      "year": "2003",
      "journal-title": "Nat. Rev. Drug Discovery"
    },
    {
      "key": "ref3/cit3",
      "doi-asserted-by": "crossref",
      "first-page": "31",
      "DOI": "10.1517/17460441.1.1.31",
      "volume": "1",
      "author": "Dearden J. C.",
      "year": "2006",
      "journal-title": "Expert Opin. Drug Discovery"
    },
    {
      "key": "ref4/cit4",
      "doi-asserted-by": "crossref",
      "first-page": "E27",
      "DOI": "10.1208/aapsj080104",
      "volume": "8",
      "author": "Johnson S. R.",
      "year": "2006",
      "journal-title": "AAPS J."
    },
    {
      "key": "ref5/cit5",
      "doi-asserted-by": "crossref",
      "first-page": "773",
      "DOI": "10.1021/ci9901338",
      "volume": "40",
      "author": "Huuskonen J.",
      "year": "2000",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "crossref",
      "first-page": "1488",
      "DOI": "10.1021/ci000392t",
      "volume": "41",
      "author": "Tetko I. V.",
      "year": "2001",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "ref7/cit7",
      "doi-asserted-by": "crossref",
      "first-page": "266",
      "DOI": "10.1021/ci034184n",
      "volume": "44",
      "author": "Hou T. J.",
      "year": "2003",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "1855",
      "DOI": "10.1021/ci034107s",
      "volume": "43",
      "author": "Lind P.",
      "year": "2003",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "first-page": "1634",
      "DOI": "10.1023/A:1026195503465",
      "volume": "20",
      "author": "Xia X.",
      "year": "2003",
      "journal-title": "Pharm. Res."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "1829",
      "DOI": "10.1002/cbdv.200490137",
      "volume": "1",
      "author": "Votano Joseph R.",
      "year": "2004",
      "journal-title": "Chem. Biodiversity"
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "first-page": "170",
      "DOI": "10.1021/ci049797u",
      "volume": "45",
      "author": "Catana C.",
      "year": "2005",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "first-page": "30",
      "DOI": "10.1021/ci049744c",
      "volume": "45",
      "author": "Clark M.",
      "year": "2005",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "169",
      "DOI": "10.1016/j.ijpharm.2006.04.022",
      "volume": "319",
      "author": "Jain N.",
      "year": "2006",
      "journal-title": "Int. J. Pharm."
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "crossref",
      "first-page": "150",
      "DOI": "10.1021/ci060164k",
      "volume": "47",
      "author": "Palmer D. S.",
      "year": "2006",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "981",
      "DOI": "10.1021/ci800024c",
      "volume": "48",
      "author": "Zhou D.",
      "year": "2008",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "571",
      "DOI": "10.1021/ci800406y",
      "volume": "49",
      "author": "Wang J.",
      "year": "2009",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "565",
      "DOI": "10.1016/0893-6080(91)90012-T",
      "volume": "4",
      "author": "Carpenter G. A.",
      "year": "1991",
      "journal-title": "Neural Networks"
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "698",
      "DOI": "10.1109/72.159059",
      "volume": "3",
      "author": "Carpenter G. A.",
      "year": "1992",
      "journal-title": "IEEE Trans. Neural Networks"
    },
    {
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "674",
      "DOI": "10.1021/ci0202741",
      "volume": "43",
      "author": "Manallack D. T.",
      "year": "2003",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "452",
      "DOI": "10.1002/qsar.200610099",
      "volume": "26",
      "author": "Fredsted B.",
      "year": "2007",
      "journal-title": "QSAR Comb. Sci."
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "2891",
      "DOI": "10.1021/jm701407x",
      "volume": "51",
      "author": "Lamanna C.",
      "year": "2008",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "261",
      "DOI": "10.1007/s11030-009-9108-1",
      "volume": "13",
      "author": "Zhang H.",
      "year": "2009",
      "journal-title": "Mol. Diversity"
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "404",
      "DOI": "10.1021/ci900377e",
      "volume": "50",
      "author": "Kramer C.",
      "year": "2010",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "crossref",
      "first-page": "121",
      "DOI": "10.1023/A:1009715923555",
      "volume": "2",
      "author": "Burges C. J. C.",
      "year": "1998",
      "journal-title": "Data Min. Knowl. Discov."
    },
    {
      "key": "ref25/cit25",
      "doi-asserted-by": "crossref",
      "first-page": "142",
      "DOI": "10.1111/j.1747-0285.2009.00840.x",
      "volume": "74",
      "author": "Chen H.-F.",
      "year": "2009",
      "journal-title": "Chem. Biol. Drug Des."
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "301",
      "DOI": "10.1007/s11030-006-9036-2",
      "volume": "10",
      "author": "Liao Q.",
      "year": "2006",
      "journal-title": "Mol. Diversity"
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "533",
      "DOI": "10.1002/qsar.200310006",
      "volume": "22",
      "author": "Trotter Matthew W. B.",
      "year": "2003",
      "journal-title": "QSAR Comb. Sci."
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "144",
      "DOI": "10.1145/130385.130401",
      "volume-title": "Proceedings of the fifth annual workshop on Computational learning theory",
      "author": "Boser B. E.",
      "year": "1992"
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "unstructured": "Vapnik, V. N.The nature of statistical learning theory;Springer-Verlag, Inc.:New York, 1995; p188.",
      "DOI": "10.1007/978-1-4757-2440-0"
    },
    {
      "key": "ref30/cit30",
      "doi-asserted-by": "crossref",
      "first-page": "152",
      "DOI": "10.1111/j.1747-0285.2009.00930.x",
      "volume": "75",
      "author": "Nisius B.",
      "year": "2010",
      "journal-title": "Chem. Biol. Drug Des."
    },
    {
      "key": "ref31/cit31",
      "doi-asserted-by": "crossref",
      "first-page": "D255",
      "DOI": "10.1093/nar/gkp965",
      "volume": "38",
      "author": "Wang Y.",
      "year": "2010",
      "journal-title": "Nucleic Acids Res."
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "152",
      "DOI": "10.1016/j.jpba.2005.11.009",
      "volume": "41",
      "author": "Bhattachar S. N.",
      "year": "2006",
      "journal-title": "J. Pharm. Biomed. Anal."
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "921",
      "DOI": "10.1023/A:1016473601633",
      "volume": "19",
      "author": "Yu L. X.",
      "year": "2002",
      "journal-title": "Pharm. Res."
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "crossref",
      "first-page": "1289",
      "DOI": "10.1021/ci800058v",
      "volume": "48",
      "author": "Llin\u00e0s A.",
      "year": "2008",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref35/cit35",
      "doi-asserted-by": "crossref",
      "first-page": "983",
      "DOI": "10.1021/ci9800211",
      "volume": "38",
      "author": "Willett P.",
      "year": "1998",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "ref36/cit36",
      "doi-asserted-by": "crossref",
      "first-page": "443",
      "DOI": "10.1021/ci960151e",
      "volume": "37",
      "author": "McGregor M. J.",
      "year": "1997",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "crossref",
      "first-page": "1273",
      "DOI": "10.1021/ci010132r",
      "volume": "42",
      "author": "Durant J. L.",
      "year": "2002",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "key": "ref38/cit38",
      "unstructured": "PubChem fingerprint, version 1.3;National Center for Biotechnology Information (NCBI):Bethesda, MD;ftp://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem_fingerprints.txt. Accessed July 13, 2010."
    },
    {
      "key": "ref39/cit39",
      "doi-asserted-by": "crossref",
      "first-page": "1275",
      "DOI": "10.1021/ci1000828",
      "volume": "50",
      "author": "Tulp I.",
      "year": "2010",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref40/cit40",
      "unstructured": "Open Babel, version 2.2.3;Department of Chemistry, University of Arizonia:Tucson, AZ;http://openbabel.org. Accessed July 13, 2010."
    },
    {
      "key": "ref41/cit41",
      "first-page": "412",
      "volume-title": "Proceedings of the Fourteenth International Conference on Machine Learning",
      "author": "Yang Y.",
      "year": "1997"
    },
    {
      "key": "ref42/cit42",
      "first-page": "1157",
      "volume": "3",
      "author": "Guyon I.",
      "year": "2003",
      "journal-title": "J. Mach. Learn. Res."
    },
    {
      "key": "ref43/cit43",
      "doi-asserted-by": "crossref",
      "first-page": "S12",
      "DOI": "10.1186/1471-2105-7-S2-S12",
      "volume": "7",
      "author": "Ding Y.",
      "year": "2006",
      "journal-title": "BMC Bioinf."
    },
    {
      "key": "ref44/cit44",
      "doi-asserted-by": "crossref",
      "first-page": "1363",
      "DOI": "10.1093/bioinformatics/btm117",
      "volume": "23",
      "author": "Wood I. A.",
      "year": "2007",
      "journal-title": "Bioinformatics"
    },
    {
      "key": "ref45/cit45",
      "doi-asserted-by": "crossref",
      "first-page": "315",
      "DOI": "10.1007/978-3-540-35488-8_13",
      "volume-title": "Feature Extraction",
      "volume": "207",
      "author": "Chen Y.-W.",
      "year": "2006"
    },
    {
      "key": "ref46/cit46",
      "unstructured": "LIBSVM, version 2.9.1;http://www.csie.ntu.edu.tw/\u223ccjlin/libsvm. Accessed on July 13, 2010."
    },
    {
      "key": "ref47/cit47",
      "doi-asserted-by": "crossref",
      "unstructured": "Tang, Y.; Zhang, Y.Q.Granular support vector machines with data cleaning for fast and accurate biomedical binary classification. In Proceedings from2005 IEEE International Conference on Granular Computing,Beijing, China,July 25\u221227, 2005;IEEE:New York, 2005; pp262\u2212265.",
      "DOI": "10.1109/GRC.2005.1547281"
    },
    {
      "key": "ref48/cit48",
      "doi-asserted-by": "crossref",
      "first-page": "3310",
      "DOI": "10.1093/bioinformatics/btp589",
      "volume": "25",
      "author": "Li Q.",
      "year": "2009",
      "journal-title": "Bioinformatics"
    },
    {
      "key": "ref49/cit49",
      "first-page": "142",
      "volume-title": "15th IEEE International Conference on Tools with Artificial Intelligence",
      "author": "Fr\u00f6hlich H.",
      "year": "2003"
    },
    {
      "key": "ref50/cit50",
      "doi-asserted-by": "crossref",
      "first-page": "231",
      "DOI": "10.1016/j.eswa.2005.09.024",
      "volume": "31",
      "author": "Huang C.-L.",
      "year": "2006",
      "journal-title": "Expert Syst. Appl."
    },
    {
      "key": "ref51/cit51",
      "doi-asserted-by": "crossref",
      "first-page": "1667",
      "DOI": "10.1162/089976603321891855",
      "volume": "15",
      "author": "Keerthi S. S.",
      "year": "2003",
      "journal-title": "Neural Comput."
    },
    {
      "key": "ref52/cit52",
      "doi-asserted-by": "crossref",
      "first-page": "281",
      "DOI": "10.1109/TSMCB.2008.2002909",
      "volume": "39",
      "author": "Tang Y.",
      "year": "2009",
      "journal-title": "IEEE Trans. Syst. Man Cybern. B: Cybern."
    },
    {
      "key": "ref53/cit53",
      "doi-asserted-by": "crossref",
      "first-page": "440",
      "DOI": "10.1093/bioinformatics/btp621",
      "volume": "26",
      "author": "Smialowski P.",
      "year": "2010",
      "journal-title": "Bioinformatics"
    },
    {
      "key": "ref54/cit54",
      "doi-asserted-by": "crossref",
      "first-page": "367",
      "DOI": "10.1007/s10822-008-9192-9",
      "volume": "22",
      "author": "Guha R.",
      "year": "2008",
      "journal-title": "J. Comput.-Aided Mol. Des."
    },
    {
      "key": "ref55/cit55",
      "doi-asserted-by": "crossref",
      "first-page": "2572",
      "DOI": "10.1021/ci900286s",
      "volume": "49",
      "author": "Hewitt M.",
      "year": "2009",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref56/cit56",
      "unstructured": "svm-weight;http://www.csie.ntu.edu.tw/\u223ccjlin/libsvmtools/calw/. Accessed on July 13, 2010."
    },
    {
      "key": "ref57/cit57",
      "doi-asserted-by": "crossref",
      "first-page": "2140",
      "DOI": "10.1021/ci700257y",
      "volume": "47",
      "author": "Cheng T.",
      "year": "2007",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref58/cit58",
      "doi-asserted-by": "crossref",
      "first-page": "67",
      "DOI": "10.1023/A:1008715521862",
      "volume": "19",
      "author": "Meylan W.",
      "year": "2000",
      "journal-title": "Perspect. Drug Discovery Des."
    },
    {
      "key": "ref59/cit59",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1021/ci800436c",
      "volume": "49",
      "author": "Hopfinger A. J.",
      "year": "2008",
      "journal-title": "J. Chem. Inf. Model."
    }
  ],
  "container-title": "Journal of Chemical Information and Modeling",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/ci100364a",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2025,
        3,
        1
      ]
    ],
    "date-time": "2025-03-01T14:33:19Z",
    "timestamp": 1740839599000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/ci100364a"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2011,
        1,
        7
      ]
    ]
  },
  "references-count": 59,
  "journal-issue": {
    "issue": "2",
    "published-print": {
      "date-parts": [
        [
          2011,
          2,
          28
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/ci100364a"
  ],
  "URL": "http://dx.doi.org/10.1021/ci100364a",
  "relation": {},
  "ISSN": [
    "1549-9596",
    "1549-960X"
  ],
  "subject": [],
  "container-title-short": "J. Chem. Inf. Model.",
  "published": {
    "date-parts": [
      [
        2011,
        1,
        7
      ]
    ]
  }
}