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Volumn , Issue , 2006, Pages 163-179

Interpolation schemes in QSAR

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EID: 84892209510     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1007/3-540-33970-1_7     Document Type: Chapter
Times cited : (5)

References (28)
  • 2
    • 0035406320 scopus 로고    scopus 로고
    • Applying the concept of partially ordered sets on the ranking of near-shore sediments by a battery of tests
    • Brüggemann R, Halfon E, Welzl G, Voigt K, Steinberg CEW (2001a) Applying the concept of partially ordered sets on the ranking of near-shore sediments by a battery of tests, J Chem Inf Comput Sci 41:918-925.
    • (2001) J Chem Inf Comput Sci , vol.41 , pp. 918-925
    • Brüggemann, R.1    Halfon, E.2    Welzl, G.3    Voigt, K.4    Steinberg, C.E.W.5
  • 5
  • 6
    • 0035084533 scopus 로고    scopus 로고
    • Partial order ranking based QSAR'S: Estimation of solubilities and octanol-water partitioning
    • Carlsen L, Sørensen PB, Thomsen M (2001) Partial order ranking based QSAR's: Estimation of solubilities and octanol-water partitioning. Chemosphere 43:295-302.
    • (2001) Chemosphere , vol.43 , pp. 295-302
    • Carlsen, L.1    Sørensen, P.B.2    Thomsen, M.3
  • 7
    • 33646481723 scopus 로고    scopus 로고
    • A QSAR approach to physico-chemical data for organophosphates with special focus on known and potential nerve agents
    • Carlsen L (2005a) A QSAR Approach to Physico-Chemical Data for Organophosphates with Special Focus on Known and Potential Nerve Agents. Internet Electron J Mol Des 4:355-366.
    • (2005) Internet Electron J Mol des , vol.4 , pp. 355-366
    • Carlsen, L.1
  • 8
    • 30344485989 scopus 로고    scopus 로고
    • Partial order ranking of organophosphates with special emphasis on nerve agents
    • Carlsen L (2005b) Partial Order Ranking of Organophosphates with Special Emphasis on Nerve Agents. MATCH-Commun Math Comput Chem 54(3):519- 534.
    • (2005) MATCH-Commun Math Comput Chem , vol.54 , Issue.3 , pp. 519-534
    • Carlsen, L.1
  • 9
    • 12344309369 scopus 로고    scopus 로고
    • Giving molecules an identity, On the interplay between QSARS and partial order ranking
    • Carlsen L (2004) Giving molecules an identity. On the interplay between QSARs and Partial Order Ranking, Molecules 4:1010-1018.
    • (2004) Molecules , vol.4 , pp. 1010-1018
    • Carlsen, L.1
  • 11
    • 0038176262 scopus 로고    scopus 로고
    • QSARS for prioritizing PBT substances to promote pollution prevention
    • Carlsen L Walker JD (2003) QSARs for Prioritizing PBT Substances to Promote Pollution Prevention. QSAR Comb Sci 22:49-57.
    • (2003) QSAR Comb Sci , vol.22 , pp. 49-57
    • Carlsen, L.W.J.D.1
  • 12
    • 0035084533 scopus 로고    scopus 로고
    • Partial order ranking based qsar's: Estimation of solubilities and octanol-water partitioning
    • Carlsen L, Sørensen PB, Thomsen M (2001) Partial order ranking based QSAR's: Estimation of solubilities and octanol-water partitioning. Chemosphere 43:295-302.
    • (2001) Chemosphere , vol.43 , pp. 295-302
    • Carlsen, L.1    Sørensen, P.B.2    Thomsen, M.3
  • 14
    • 84892302869 scopus 로고    scopus 로고
    • COM, Proposal for a Regulation Of The European Parliament And Of The Council concerning the, establishing a European Chemicals Agency and amending Directive 1999/45/EC and Regulation (EC) {on Persistent Organic Pollutants} Proposal for a Directive Of The European Parliament And Of The Council amending Council Directive 67/548/EEC in order to adapt it to Regulation (EC) of the European Parliament and of the Council concerning the registration, evaluation, authorisation and restriction of chemicals, 2003
    • COM (2003), Proposal for a Regulation Of The European Parliament And Of The Council concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), establishing a European Chemicals Agency and amending Directive 1999/45/EC and Regulation (EC) {on Persistent Organic Pollutants} Proposal for a Directive Of The European Parliament And Of The Council amending Council Directive 67/548/EEC in order to adapt it to Regulation (EC) of the European Parliament and of the Council concerning the registration, evaluation, authorisation and restriction of chemicals, COM 2003 644 (3) http://europa.eu.int/eur-lex/en/com/pdf/2003/com2003-0644en.html.
    • (2003) Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) , vol.644 , Issue.3
  • 15
    • 0024263588 scopus 로고
    • Use of polynomial expressions to describe the bioconcentration of hydrophobic chemicals in fish
    • Connell DW, Hawker DW (1988) Use of polynomial expressions to describe the bioconcentration of hydrophobic chemicals in fish. Ecotox Environ Safety 16:242-257.
    • (1988) Ecotox Environ Safety , vol.16 , pp. 242-257
    • Connell, D.W.1    Hawker, D.W.2
  • 19
    • 0000139473 scopus 로고
    • On the family of linear extensions of a partial order
    • Fishburn PC (1974) On the family of linear extensions of a partial order, J Combinat Theory 17:240-243.
    • (1974) J Combinat Theory , vol.17 , pp. 240-243
    • Fishburn, P.C.1
  • 20
    • 0011419831 scopus 로고
    • Linear extensions of partial orders and the fkg inequality
    • I Rival (ed)
    • Graham RL (1982) Linear Extensions of Partial Orders and the FKG Inequality. in: Ordered Sets, I Rival (ed) pp 213-236.
    • (1982) Ordered Sets , pp. 213-236
    • Graham, R.L.1
  • 21
    • 0022819986 scopus 로고
    • On the ranking of chemicals for environmental hazard
    • Halfon E, Reggiani MG (1986) On the ranking of chemicals for environmental hazard. Environ Sci Technol 20:1173-1179.
    • (1986) Environ Sci Technol , vol.20 , pp. 1173-1179
    • Halfon, E.1    Reggiani, M.G.2
  • 23
    • 33748340617 scopus 로고
    • Important differences between aqueous solubility relationships for aliphatic and aromatic solutes
    • Kamlet MJ, Doherty RM, Abraham MH, Carr PW, Doherty RF, Taft RW (1987) Important differences between aqueous solubility relationships for aliphatic and aromatic solutes. J Phys Chem 91:1996-2004.
    • (1987) J Phys Chem , vol.91 , pp. 1996-2004
    • Kamlet, M.J.1    Doherty, R.M.2    Abraham, M.H.3    Carr, P.W.4    Doherty, R.F.5    Taft, R.W.6
  • 24
    • 33845279234 scopus 로고
    • An improved equation for correlation and prediction of octanol/water partition coefficients of organic nonelectrolytes (including strong hydrogen bond donor solutes)
    • Kamlet MJ, Doherty RM, Abraham MH, Marcus Y, Taft RW (1988) An improved equation for correlation and prediction of octanol/water partition coefficients of organic nonelectrolytes (including strong hydrogen bond donor solutes). J Phys Chem 92:5244-5255.
    • (1988) J Phys Chem , vol.92 , pp. 5244-5255
    • Kamlet, M.J.1    Doherty, R.M.2    Abraham, M.H.3    Marcus, Y.4    Taft, R.W.5
  • 25
    • 0036708524 scopus 로고    scopus 로고
    • A comparison of partial order technique with three methods of multi-criteria analysis for ranking of chemical substances
    • Lerche D, Brüggemann R, Sørensen P, Carlsen L, Nielsen OJ (2002) A comparison of partial order technique with three methods of multi-criteria analysis for ranking of chemical substances. J Chem Inf Comput Sci 42:1086-1098.
    • (2002) J Chem Inf Comput Sci , vol.42 , pp. 1086-1098
    • Lerche, D.1    Brüggemann, R.2    Sørensen, P.3    Carlsen, L.4    Nielsen, O.J.5
  • 26
    • 0034058457 scopus 로고    scopus 로고
    • The influence of partial order ranking from input parameter uncertainty, Definition of a robustness parameter
    • Sørensen PB, Mogensen BB, Carlsen L, Thomsen M (2000) The influence of partial order ranking from input parameter uncertainty. Definition of a robustness parameter. Chemosphere 41:595-601.
    • (2000) Chemosphere , vol.41 , pp. 595-601
    • Sørensen, P.B.1    Mogensen, B.B.2    Carlsen, L.3    Thomsen, M.4
  • 27
    • 0011402055 scopus 로고
    • Average height in a partially ordered set
    • Winkler PM (1982) Average height in a partially ordered set. Discrete Mathematic 39:337-341.
    • (1982) Discrete Mathematic , vol.39 , pp. 337-341
    • Winkler, P.M.1
  • 28
    • 0011398417 scopus 로고
    • Correlation among partial orders
    • Winkler PM (1983) Correlation among partial orders. Siam J Alg Disc Meth 4:1-7.
    • (1983) Siam J Alg Disc Meth , vol.4 , pp. 1-7
    • Winkler, P.M.1


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