{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,10,27]],"date-time":"2023-10-27T19:19:39Z","timestamp":1698434379374},"reference-count":37,"publisher":"American Chemical Society (ACS)","issue":"4","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Comput. Sci."],"published-print":{"date-parts":[[1996,1,1]]},"DOI":"10.1021\/ci950066r","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T06:00:31Z","timestamp":1027663231000},"page":"872-878","source":"Crossref","is-referenced-by-count":4,"title":["Molecular Lipophilic Potential on van der Waals Surfaces as a Tool in the Study of 4-Alkylpyrazoles"],"prefix":"10.1021","volume":"36","author":[{"given":"Isabel","family":"Rozas","sequence":"first","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica, C.S.I.C., Juan de la Cierva 3, 28006-Madrid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Manuel","family":"Mart\u00edn","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica, C.S.I.C., Juan de la Cierva 3, 28006-Madrid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[1996,7,24]]},"reference":[{"key":"ci950066rb00001\/ci950066rb00001_1","volume-title":"Molecular Recognition Mechanism","author":"Delaage","year":"1991"},{"key":"ci950066rb00002\/ci950066rb00002_1","first-page":"63","volume":"14","author":"Kauzmann W","year":"1959","journal-title":"Adv. Prot. Chem."},{"key":"ci950066rb00003\/ci950066rb00003_1","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1007\/BF00119860","volume":"8","author":"Gaillard P.","year":"1994","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"ci950066rb00004\/ci950066rb00004_1","doi-asserted-by":"crossref","first-page":"1319","DOI":"10.1021\/ci00022a013","volume":"34","author":"Pixner P.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci950066rb00005\/ci950066rb00005_1","doi-asserted-by":"crossref","first-page":"514","DOI":"10.1007\/BF00124359","volume":"7","author":"Heiden W.","year":"1993","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"ci950066rb00006\/ci950066rb00006_1","doi-asserted-by":"crossref","first-page":"206","DOI":"10.1016\/S0263-7855(98)80004-0","volume":"6","author":"Fauch\u00e8re J. L.","year":"1988","journal-title":"J. Mol. Graphics"},{"key":"ci950066rb00007\/ci950066rb00007_1","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1016\/S0263-7855(98)80001-5","volume":"6","author":"Furet P.","year":"1988","journal-title":"J. Mol. Graphics"},{"key":"ci950066rb00008\/ci950066rb00008_1","volume-title":"Comprehensive Medicinal Chemistry","author":"Leo","year":"1990"},{"key":"ci950066rb00009\/ci950066rb00009_1","doi-asserted-by":"crossref","first-page":"218","DOI":"10.1002\/qua.560440209","volume":"44","author":"Alkorta I.","year":"1992","journal-title":"Int. J. Quantum Chem."},{"key":"ci950066rb00010\/ci950066rb00010_1","first-page":"72","volume":"21","author":"Audry E.","year":"1986","journal-title":"Eur. J. Med. Chem."},{"key":"ci950066rb00011\/ci950066rb00011_1","doi-asserted-by":"crossref","first-page":"552","DOI":"10.1007\/BF00135313","volume":"5","author":"Kellogg G. E.","year":"1991","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"ci950066rb00012\/ci950066rb00012_1","volume-title":"Int. J. Quantum Chem.:\u2009 QBS","author":"Mezey P. G.","year":"1986"},{"key":"ci950066rb00013\/ci950066rb00013_1","first-page":"469","volume":"8","author":"Mezey P. G","year":"1987","journal-title":"J. Comput. Chem."},{"key":"ci950066rb00014\/ci950066rb00014_1","first-page":"563","volume":"9","author":"Arteca G. A.","year":"1988","journal-title":"J. Comput. Chem."},{"key":"ci950066rb00015\/ci950066rb00015_1","volume-title":"Int. J. Quantum Chem.:\u2009 QBS","author":"Rozas I.","year":"1991"},{"key":"ci950066rb00016\/ci950066rb00016_1","doi-asserted-by":"crossref","first-page":"274","DOI":"10.1016\/0263-7855(94)80103-7","volume":"12","author":"Rozas I.","year":"1994","journal-title":"J. Mol. Graphics"},{"key":"ci950066rb00017\/ci950066rb00017_1","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1016\/0263-7855(94)00017-M","volume":"13","author":"Rozas I.","year":"1995","journal-title":"Mol. Graphics"},{"key":"ci950066rb00018\/ci950066rb00018_1","doi-asserted-by":"crossref","first-page":"260","DOI":"10.3891\/acta.chem.scand.23-0255","volume":"23","author":"Theorell H.","year":"1969","journal-title":"Acta Chem. Scand."},{"key":"ci950066rb00019\/ci950066rb00019_1","doi-asserted-by":"crossref","first-page":"359","DOI":"10.1021\/jm00190a005","volume":"22","author":"Fries R. W.","year":"1979","journal-title":"J. Med. Chem."},{"key":"ci950066rb00020\/ci950066rb00020_1","first-page":"77","volume":"6","author":"Tute M. S","year":"1971","journal-title":"Adv. Drug Res."},{"key":"ci950066rb00021\/ci950066rb00021_1","first-page":"487","volume":"33","author":"Tolf B.-R.","year":"1979","journal-title":"Acta Chem. Scand."},{"key":"ci950066rb00022\/ci950066rb00022_1","doi-asserted-by":"crossref","first-page":"5180","DOI":"10.1021\/ja01077a029","volume":"86","author":"Fujita T.","year":"1964","journal-title":"J. Am. Chem. Soc."},{"key":"ci950066rb00023\/ci950066rb00023_1","first-page":"535","volume":"8","author":"Nys G. C.","year":"1973","journal-title":"Chim. Therap."},{"key":"ci950066rb00024\/ci950066rb00024_1","volume-title":"The hydrophobic fragmental constants","author":"Rekker R.","year":"1977"},{"key":"ci950066rb00025\/ci950066rb00025_1","volume-title":"Substituent constants for correlation analysis in chemistry and biology","author":"Hansch C.","year":"1979"},{"key":"ci950066rb00026\/ci950066rb00026_1","doi-asserted-by":"crossref","first-page":"577","DOI":"10.1002\/jcc.540070419","volume":"7","author":"Ghose A. K.","year":"1986","journal-title":"J. Comput. Chem."},{"key":"ci950066rb00027\/ci950066rb00027_1","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1002\/jcc.540090111","volume":"9","author":"Ghose A. K.","year":"1988","journal-title":"J. Comput. Chem."},{"key":"ci950066rb00028\/ci950066rb00028_1","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1021\/ci00063a006","volume":"29","author":"Viswanadhan V. N.","year":"1989","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci950066rb00029\/ci950066rb00029_1","volume-title":"program 429","author":"Connolly M. L. QCPE","year":"1981"},{"key":"ci950066rb00030\/ci950066rb00030_1","first-page":"716","volume":"12","author":"Arteca G. A.","year":"1991","journal-title":"J. Comput. Chem."},{"key":"ci950066rb00031\/ci950066rb00031_1","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1016\/0263-7855(88)80061-4","volume":"6","author":"Arteca G. A.","year":"1988","journal-title":"J. Mol. Graph."},{"key":"ci950066rb00032\/ci950066rb00032_1","unstructured":"InsightII version 2.1.0; Biosym Technologies:\u2009 San Diego, 1992; on a Personal Iris workstation from Silicon Graphics Ltd."},{"key":"ci950066rb00033\/ci950066rb00033_1","unstructured":"Mart\u00edn, M. ProgramTOPO(Instituto de Qu\u00edmica M\u00e9dica, CSIC, Madrid, Spain) 1993."},{"key":"ci950066rb00034\/ci950066rb00034_1","volume-title":"Elements of Algebraic Topology","author":"Munkres J.","year":"1984"},{"key":"ci950066rb00035\/ci950066rb00035_1","doi-asserted-by":"crossref","first-page":"5225","DOI":"10.1021\/ja00354a007","volume":"105","author":"Gavezzotti A","year":"1983","journal-title":"J. Am. Chem. Soc."},{"key":"ci950066rb00036\/ci950066rb00036_1","first-page":"278","volume":"1","author":"Cramer III, R. D","year":"1993","journal-title":"Perspectives Drug Discovery Design"},{"key":"ci950066rb00037\/ci950066rb00037_1","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1002\/ardp.19943270507","volume":"327","author":"Echevarr\u00eda A.","year":"1994","journal-title":"Arch. Pharm."}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci950066r","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,9,23]],"date-time":"2021-09-23T17:04:37Z","timestamp":1632416677000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci950066r"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1996,1,1]]},"references-count":37,"journal-issue":{"issue":"4","published-print":{"date-parts":[[1996,1,1]]}},"alternative-id":["10.1021\/ci950066r"],"URL":"https:\/\/doi.org\/10.1021\/ci950066r","relation":{},"ISSN":["0095-2338"],"issn-type":[{"value":"0095-2338","type":"print"}],"subject":[],"published":{"date-parts":[[1996,1,1]]}}}