{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,6]],"date-time":"2025-10-06T18:48:28Z","timestamp":1759776508957},"reference-count":39,"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":[[2001,7,1]]},"DOI":"10.1021\/ci000151l","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T04:39:39Z","timestamp":1027658379000},"page":"950-957","source":"Crossref","is-referenced-by-count":5,"title":["Monte Carlo Methods for Small Molecule High-Throughput Experimentation"],"prefix":"10.1021","volume":"41","author":[{"given":"Ligang","family":"Chen","sequence":"first","affiliation":[{"name":"Department of Chemical Engineering, University of California, Los Angeles, California 90095-1592"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michael W.","family":"Deem","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering, University of California, Los Angeles, California 90095-1592"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2001,5,3]]},"reference":[{"key":"ci000151lb00001\/ci000151lb00001_1","doi-asserted-by":"crossref","first-page":"2377","DOI":"10.1002\/anie.199622881","volume":"35","author":"Balkenhohl F.","year":"1996","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ci000151lb00002\/ci000151lb00002_1","doi-asserted-by":"crossref","first-page":"2532","DOI":"10.1002\/(SICI)1521-3773(19990903)38:17<2494::AID-ANIE2494>3.0.CO;2-#","volume":"38","author":"Jandeleit B.","year":"1999","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ci000151lb00003\/ci000151lb00003_1","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1016\/S0167-7799(98)01275-X","volume":"17","author":"McFarland E. W.","year":"1999","journal-title":"Trends Biotechnol."},{"key":"ci000151lb00004\/ci000151lb00004_1","doi-asserted-by":"crossref","first-page":"493","DOI":"10.1111\/j.1399-3011.1991.tb00765.x","volume":"37","author":"Furka A.","year":"1991","journal-title":"Int. J. Peptide Protein Res."},{"key":"ci000151lb00005\/ci000151lb00005_1","first-page":"10926","volume":"90","author":"Ohlmeyer M. H. J.","year":"1993","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci000151lb00006\/ci000151lb00006_1","doi-asserted-by":"crossref","first-page":"428","DOI":"10.1016\/S1367-5931(98)80019-7","volume":"2","author":"Francis M. B.","year":"1998","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ci000151lb00007\/ci000151lb00007_1","first-page":"9087","volume":"121","author":"Tan D. S.","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"ci000151lb00008\/ci000151lb00008_1","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1016\/S1359-0286(98)80072-7","volume":"3","author":"Weinberg W. H.","year":"1998","journal-title":"Curr. Opin. Solid State Mater. Sci."},{"key":"ci000151lb00009\/ci000151lb00009_1","doi-asserted-by":"crossref","first-page":"1969","DOI":"10.1126\/science.287.5460.1964","volume":"287","author":"Schreiber S. L.","year":"2000","journal-title":"Science"},{"key":"ci000151lb00010\/ci000151lb00010_1","doi-asserted-by":"crossref","first-page":"206","DOI":"10.1021\/cc980036b","volume":"1","author":"Nazarpack-Kandlousy N.","year":"1999","journal-title":"J. Comb. Chem."},{"key":"ci000151lb00011\/ci000151lb00011_1","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1002\/ddr.430330214","volume":"33","author":"Desai M. C.","year":"1994","journal-title":"Drug Dev. Res."},{"key":"ci000151lb00012\/ci000151lb00012_1","doi-asserted-by":"crossref","first-page":"3324","DOI":"10.1021\/jm970666c","volume":"41","author":"Ajay","year":"1998","journal-title":"J. Med. Chem."},{"key":"ci000151lb00013\/ci000151lb00013_1","doi-asserted-by":"crossref","first-page":"380","DOI":"10.1016\/S1367-5931(98)80012-4","volume":"2","author":"Bures M. G.","year":"1998","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ci000151lb00014\/ci000151lb00014_1","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1016\/S0169-7439(99)00010-6","volume":"48","author":"Drewry D. H.","year":"1999","journal-title":"Chemometr. Intell. Lab."},{"key":"ci000151lb00015\/ci000151lb00015_1","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1007\/BF01718702","volume":"2","author":"Hassan M.","year":"1996","journal-title":"Mol. Divers."},{"key":"ci000151lb00016\/ci000151lb00016_1","doi-asserted-by":"crossref","first-page":"258","DOI":"10.1021\/ci970095x","volume":"38","author":"Zheng W.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci000151lb00017\/ci000151lb00017_1","doi-asserted-by":"crossref","first-page":"268","DOI":"10.1021\/ci970095x","volume":"38","author":"Zheng W.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci000151lb00018\/ci000151lb00018_1","doi-asserted-by":"crossref","first-page":"746","DOI":"10.1021\/ci980103p","volume":"39","author":"Zheng W.","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci000151lb00019\/ci000151lb00019_1","doi-asserted-by":"crossref","first-page":"306","DOI":"10.1021\/cc9900044","volume":"1","author":"Reynolds C. H.","year":"1999","journal-title":"J. Comb. Chem."},{"key":"ci000151lb00020\/ci000151lb00020_1","first-page":"114","volume":"4","author":"Linusson A.","year":"1999","journal-title":"Mol. Divers."},{"key":"ci000151lb00021\/ci000151lb00021_1","doi-asserted-by":"crossref","first-page":"5952","DOI":"10.1103\/PhysRevE.61.5948","volume":"61","author":"Falcioni M.","year":"2000","journal-title":"Phys. Rev. E"},{"key":"ci000151lb00022\/ci000151lb00022_1","doi-asserted-by":"crossref","first-page":"54","DOI":"10.1002\/(SICI)1097-0290(199824)61:1<47::AID-BIT9>3.0.CO;2-Z","volume":"61","author":"Gobbi A.","year":"1998","journal-title":"Biotechnol. Bioeng."},{"key":"ci000151lb00023\/ci000151lb00023_1","doi-asserted-by":"crossref","first-page":"2282","DOI":"10.1002\/anie.199522801","volume":"34","author":"Weber L.","year":"1995","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ci000151lb00024\/ci000151lb00024_1","doi-asserted-by":"crossref","first-page":"320","DOI":"10.1021\/ci00024a021","volume":"35","author":"Sheridan R. P.","year":"1995","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci000151lb00025\/ci000151lb00025_1","first-page":"1676","volume":"118","author":"Singh J.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"ci000151lb00026\/ci000151lb00026_1","first-page":"73","volume":"78","author":"Brennan M. B.","year":"2000","journal-title":"Chem. Eng. News"},{"key":"ci000151lb00027\/ci000151lb00027_1","first-page":"1459","volume":"8","author":"Brown R. D.","year":"1997","journal-title":"Expert Opinion Therapeutic Patents"},{"key":"ci000151lb00028\/ci000151lb00028_1","first-page":"2313","volume":"40","author":"Brown R. D.","year":"1998","journal-title":"J. Med. Chem."},{"key":"ci000151lb00029\/ci000151lb00029_1","first-page":"5","volume":"2","author":"Katritzky A. R.","year":"2000","journal-title":"J. Comb. Chem."},{"key":"ci000151lb00030\/ci000151lb00030_1","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1016\/S0022-5193(87)80029-2","volume":"128","author":"Kauffman S.","year":"1987","journal-title":"J. Theor. Biol."},{"key":"ci000151lb00031\/ci000151lb00031_1","doi-asserted-by":"crossref","first-page":"9661","DOI":"10.1073\/pnas.92.21.9657","volume":"92","author":"Perelson A. S.","year":"1995","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci000151lb00032\/ci000151lb00032_1","first-page":"2595","volume":"96","author":"Bogard L. D.","year":"1999","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci000151lb00033\/ci000151lb00033_1","volume-title":"Understanding Molecular Simulation","author":"Frenkel D.","year":"1996"},{"key":"ci000151lb00034\/ci000151lb00034_1","doi-asserted-by":"crossref","first-page":"1534","DOI":"10.1126\/science.274.5292.1531","volume":"274","author":"Shuker S. B.","year":"1996","journal-title":"Science"},{"key":"ci000151lb00035\/ci000151lb00035_1","doi-asserted-by":"crossref","first-page":"769","DOI":"10.1016\/S1074-5521(00)80022-8","volume":"6","author":"Fejzo J.","year":"1999","journal-title":"Chem. Biol."},{"key":"ci000151lb00036\/ci000151lb00036_1","first-page":"2424","volume":"97","author":"Maly D. J.","year":"2000","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci000151lb00037\/ci000151lb00037_1","doi-asserted-by":"crossref","first-page":"10133","DOI":"10.1073\/pnas.96.18.10129","volume":"96","author":"Griffey R. H.","year":"1999","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci000151lb00038\/ci000151lb00038_1","doi-asserted-by":"crossref","first-page":"2609","DOI":"10.1103\/PhysRevLett.57.2607","volume":"57","author":"Swendsen R. H.","year":"1986","journal-title":"Phys. Rev. Lett."},{"key":"ci000151lb00039\/ci000151lb00039_1","volume-title":"Computing Science and Statistics:\u2009 Proceedings of the 23rd Symposium on the Interface","author":"Geyer C. J.","year":"1991"}],"container-title":["Journal of Chemical Information and Computer Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci000151l","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,1,2]],"date-time":"2024-01-02T18:40:02Z","timestamp":1704220802000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci000151l"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2001,5,3]]},"references-count":39,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2001,7,1]]}},"alternative-id":["10.1021\/ci000151l"],"URL":"https:\/\/doi.org\/10.1021\/ci000151l","relation":{},"ISSN":["0095-2338","1520-5142"],"issn-type":[{"value":"0095-2338","type":"print"},{"value":"1520-5142","type":"electronic"}],"subject":[],"published":{"date-parts":[[2001,5,3]]}}}