{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,6]],"date-time":"2025-11-06T11:50:49Z","timestamp":1762429849769},"reference-count":35,"publisher":"Elsevier BV","issue":"6","license":[{"start":{"date-parts":[[2002,11,1]],"date-time":"2002-11-01T00:00:00Z","timestamp":1036108800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Computers &amp; Chemistry"],"published-print":{"date-parts":[[2002,11]]},"DOI":"10.1016\/s0097-8485(02)00049-9","type":"journal-article","created":{"date-parts":[[2003,4,7]],"date-time":"2003-04-07T13:19:33Z","timestamp":1049721573000},"page":"645-660","source":"Crossref","is-referenced-by-count":27,"title":["On the solution of mixed-integer nonlinear programming models for computer aided molecular design"],"prefix":"10.1016","volume":"26","author":[{"given":"Guennadi M.","family":"Ostrovsky","sequence":"first","affiliation":[]},{"given":"Luke E.K.","family":"Achenie","sequence":"additional","affiliation":[]},{"given":"Manish","family":"Sinha","sequence":"additional","affiliation":[]}],"member":"78","reference":[{"issue":"9","key":"10.1016\/S0097-8485(02)00049-9_BIB1","doi-asserted-by":"crossref","first-page":"1137","DOI":"10.1016\/S0098-1354(98)00027-1","article-title":"A global optimization method, alpha-BB, for a general twice-differentiable NLPs\u2014I. Theoretic advances","volume":"22","author":"Adjiman","year":"1998","journal-title":"Comput. Chem. Eng."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB2","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1007\/BF00121749","article-title":"Rigorous convex underestimators for general twice-differentiable problems","volume":"9","author":"Adjiman","year":"1996","journal-title":"J. Global Opt."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB3","series-title":"Industrial Solvent Handbook","author":"Archer","year":"1996"},{"key":"10.1016\/S0097-8485(02)00049-9_BIB4","series-title":"CRC Handbook of Solubility Parameters and Other Cohesion Parameters","first-page":"768","author":"Barton","year":"1985"},{"key":"10.1016\/S0097-8485(02)00049-9_BIB5","unstructured":"Brooke, A., Kendrick, D., Meeraus, A., 1996. GAMS Release 2.25. A User's Guide. Gams Development Corporation, Washington DC, p. 290."},{"issue":"10","key":"10.1016\/S0097-8485(02)00049-9_BIB6","doi-asserted-by":"crossref","first-page":"3788","DOI":"10.1021\/ie9601920","article-title":"Novel mathematical programming model for computer aided molecular design","volume":"35","author":"Churi","year":"1996","journal-title":"Ind. Eng. Chem. Res."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB7","doi-asserted-by":"crossref","first-page":"1697","DOI":"10.1002\/aic.690401011","article-title":"New group contribution method for estimating properties of pure compounds","volume":"40","author":"Constantinou","year":"1994","journal-title":"Am. Inst. Chem. Eng. J."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB8","doi-asserted-by":"crossref","first-page":"3727","DOI":"10.1016\/0009-2509(96)00224-2","article-title":"Designing environmentally safe refrigerants using mathematical programming","volume":"51","author":"Duvedi","year":"1996","journal-title":"Chem. Eng. Sci."},{"issue":"6","key":"10.1016\/S0097-8485(02)00049-9_BIB9","doi-asserted-by":"crossref","first-page":"809","DOI":"10.1016\/S0098-1354(97)00253-6","article-title":"A combinatorial approach for generating candidate compounds with desired properties based on group contribution","volume":"22","author":"Friedler","year":"1998","journal-title":"Comput. Chem. Eng."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB10","unstructured":"Gantmaher, F.R., 1967. Matrix Theory. Nauka, Moscow, p. 650."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB11","series-title":"A Workshop on the Occasion of the 70th Birthday of Professor Hoang Tuy, From Local to Global Optimization","article-title":"Solving global optimization problems with BARON","author":"Ghildyal","year":"1997"},{"key":"10.1016\/S0097-8485(02)00049-9_BIB12","unstructured":"Hansen, C., 1969. The three-dimensional solubility parameter\u2014key to paints component affinities. I. Solvents, placticizers, polymers and resins. J. Paint Technol. 39, 505."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB13","series-title":"Global Optimization. Deterministic Approaches","first-page":"727","author":"Horst","year":"1990"},{"key":"10.1016\/S0097-8485(02)00049-9_BIB14","unstructured":"Joback, K.G., Stephanopoulos, G., 1989. Designing compounds possessing desired physical property values. Proceedings FOCAPD 1989, Snowmass Village, Colorado."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB15","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1080\/00986448708960487","article-title":"Estimation of pure-component properties from group-contributions","volume":"57","author":"Joback","year":"1987","journal-title":"Chem. Eng. Commun."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB16","series-title":"Handbook of Chemical Property Estimation Methods","author":"Lyman","year":"1981"},{"key":"10.1016\/S0097-8485(02)00049-9_BIB17","first-page":"429","article-title":"Design of optimal solvents for liquid\u2013liquid extraction and gas absorption processes","volume":"68","author":"Macchietto","year":"1990","journal-title":"Trans. Inst. Chem. Eng."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB18","doi-asserted-by":"crossref","first-page":"3403","DOI":"10.1021\/ie960096z","article-title":"Optimal computer-aided molecular design: a polymer design case study","volume":"35","author":"Maranas","year":"1996","journal-title":"Ind. Eng. Chem. Res."},{"issue":"5","key":"10.1016\/S0097-8485(02)00049-9_BIB19","doi-asserted-by":"crossref","first-page":"1250","DOI":"10.1002\/aic.690430514","article-title":"Optimal molecular design under property prediction uncertainty","volume":"43","author":"Maranas","year":"1997","journal-title":"Am. Inst. Chem. Eng. J."},{"issue":"4","key":"10.1016\/S0097-8485(02)00049-9_BIB20","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1016\/S0098-1354(96)00282-7","article-title":"Global optimization in generalized geometric programming","volume":"21","author":"Maranas","year":"1997","journal-title":"Comput. Chem. Eng."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB21","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1007\/BF01580665","article-title":"Computability of global solutions to factorable nonconvex programs. Part I\u2014convex underestimating problems","volume":"10","author":"McCormick","year":"1976","journal-title":"Math. Program."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB22","series-title":"Nonlinear Programming Theory, Algorithms and Applications","author":"McCormick","year":"1983"},{"key":"10.1016\/S0097-8485(02)00049-9_BIB23","series-title":"Interval Analysis","author":"Moore","year":"1966"},{"key":"10.1016\/S0097-8485(02)00049-9_BIB24","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1016\/0378-3812(93)87127-M","article-title":"Computer aided molecular design: a novel method for optimal solvent selection","volume":"82","author":"Odele","year":"1993","journal-title":"Fluid Phase Equilibria"},{"issue":"1","key":"10.1016\/S0097-8485(02)00049-9_BIB25","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1016\/0098-1354(90)87009-E","article-title":"Discrete optimization of chemical processes","volume":"14","author":"Ostrovsky","year":"1990","journal-title":"Comput. Chem. Eng."},{"issue":"6","key":"10.1016\/S0097-8485(02)00049-9_BIB26","doi-asserted-by":"crossref","first-page":"717","DOI":"10.1016\/S0098-1354(97)00255-X","article-title":"Optimal solvent design for environmental impact minimization","volume":"22","author":"Pistikopoulos","year":"1998","journal-title":"Comput. Chem. Eng."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB27","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1007\/BF01106605","article-title":"A global optimization algorithm for linear fractional and bilinear programs","volume":"6","author":"Quesada","year":"1995","journal-title":"J. Global Opt."},{"issue":"6","key":"10.1016\/S0097-8485(02)00049-9_BIB28","doi-asserted-by":"crossref","first-page":"747","DOI":"10.1016\/S0098-1354(97)00257-3","article-title":"Optimization in product design with properties correlated with topological indices","volume":"22","author":"Raman","year":"1998","journal-title":"Comput. Chem. Eng."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB29","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1007\/BF00138689","article-title":"A branch-and-reduce approach to global optimization","volume":"8","author":"Ryoo","year":"1996","journal-title":"J. Global Opt."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB30","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1007\/BF00122429","article-title":"A new reformulation\u2013linearization technique for bilinear programming problems","volume":"2","author":"Sherali","year":"1992","journal-title":"J. Global Opt."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB31","unstructured":"Sinha, M., 1999. A systems engineering framework for solvent design. Ph.D. Thesis, University of Connecticut."},{"issue":"Suppl.","key":"10.1016\/S0097-8485(02)00049-9_BIB32","doi-asserted-by":"crossref","first-page":"S791","DOI":"10.1016\/S0098-1354(97)87599-0","article-title":"Global optimization of nonconvex MINLP's","volume":"21","author":"Smith","year":"1997","journal-title":"Comput. Chem. Eng."},{"issue":"3","key":"10.1016\/S0097-8485(02)00049-9_BIB33","doi-asserted-by":"crossref","first-page":"277","DOI":"10.1177\/009524439402600306","article-title":"Computer-aided design of high performance polymers","volume":"26","author":"Vaidyanathan","year":"1994","journal-title":"J. Elastom. Plastic."},{"key":"10.1016\/S0097-8485(02)00049-9_BIB34","doi-asserted-by":"crossref","first-page":"1993","DOI":"10.1002\/aic.690351210","article-title":"A neural network methodology for process fault diagnosis","volume":"35","author":"Venkatasubramanium","year":"1989","journal-title":"Am. Inst. Chem. Eng. J."},{"issue":"7","key":"10.1016\/S0097-8485(02)00049-9_BIB35","doi-asserted-by":"crossref","first-page":"769","DOI":"10.1016\/0098-1354(90)87085-4","article-title":"A combined penalty function and outer-approximation method for MINLP optimization","volume":"14","author":"Viswanathan","year":"1990","journal-title":"Computers and Chemical Engineering"}],"container-title":["Computers &amp; Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0097848502000499?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0097848502000499?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2019,4,2]],"date-time":"2019-04-02T14:23:00Z","timestamp":1554214980000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0097848502000499"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2002,11]]},"references-count":35,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2002,11]]}},"alternative-id":["S0097848502000499"],"URL":"https:\/\/doi.org\/10.1016\/s0097-8485(02)00049-9","relation":{},"ISSN":["0097-8485"],"issn-type":[{"value":"0097-8485","type":"print"}],"subject":[],"published":{"date-parts":[[2002,11]]}}}