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- Date: 2008
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Announcement of a Competition to Predict Aqueous Solubility
https://www-jmg.ch.cam.ac.uk/data/solubility/pss.doc3 Apr 2008: 24 Probenecid. 25 Pyrimethamine. 26 Salicylic acid. 27 Sulfamerazine. 28 Sulfamethizole. -
1 Intrinsic Aqueous Solubility Prediction Scoring Sheet Code Name ...
https://www-jmg.ch.cam.ac.uk/data/solubility/pss.pdf3 Apr 2008: OH. O. 23 (1R, 2R)-(-)- Pseudoephedrine and enantiomer. NH. OH. 24 Probenecid. -
https://www-jmg.ch.cam.ac.uk/data/solubility/s032.txt
https://www-jmg.ch.cam.ac.uk/data/solubility/s032.txt15 Apr 2008: 8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20, ... 25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2. -
https://www-jmg.ch.cam.ac.uk/data/solubility/s100.txt
https://www-jmg.ch.cam.ac.uk/data/solubility/s100.txt15 Apr 2008: 22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)/t9-/m0/s1 loperamide 24.88 10 Co-solvent technique used. ... 26(30)16-14-23/h3-16,34H,17-22H2,1-2H3 l-proline 24.95 No precipitation detected. -
100 data
https://www-jmg.ch.cam.ac.uk/data/solubility/soldata.xls15 Apr 2008: 26-27H,(H,19,22)(H,24,25)/b21-20+. sulfathiazole. 25.59. ... b17-9-/t25-/m1/s1. sulindac_form_II. 24.83. 19. 0.15972. -
https://www-jmg.ch.cam.ac.uk/data/solubility/s032probenecid.txt
https://www-jmg.ch.cam.ac.uk/data/solubility/s032probenecid.txt5 Aug 2008: 8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20, ... 25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2. -
100 data
https://www-jmg.ch.cam.ac.uk/data/solubility/soldataswap.xls5 Aug 2008: 26-27H,(H,19,22)(H,24,25)/b21-20+. sulfathiazole. 25.59. ... b17-9-/t25-/m1/s1. sulindac_form_II. 24.83. 19. 0.15972. -
JSCH2005
https://www-jmg.ch.cam.ac.uk/data/forcefield/summaryJSCH2005.pdf6 Dec 2008: 3.34 2.96 4.29 4.30 4.30 2.53 1.74 3.24 3.24Total:MUE 4.76 4.80 4.36 2.41 2.31 2.43 ... 66 6.42 3.78 3.62 3.81 3.34 2.82 3.03 3.24.
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