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The Goodman Group, Cambridge
https://www-jmg.ch.cam.ac.uk/19 May 2024: toxicology. Monday, May 20th, 2024. 2005-2024; privacy; last updated May 20, 2024. -
platensimycin
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/platensimycin.html6 May 2024: c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24) ... 32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+, -
macroModel atom types
https://www-jmg.ch.cam.ac.uk/cil/SGTL/mmod_atomtypes.html6 May 2024: 6 OH1,OH2 OS,OH 17 OA United atom OH OH1E 18 OM O- (alkoxide, carboxylate) 25 OC 19 OW United atom H2O - Water OH2E 20 21 22 23 O0 Any ... Z0 Special Atom to be defined 63 Lp Lone Electron Pair 20 LP 64 00 Any Atom 0 Note: 00 atoms stored as type 0 in -
Calculation of DP4
https://www-jmg.ch.cam.ac.uk/tools/nmr/DP4/3 May 2021: Goodman Group, 2005-2017; privacy; last updated September 20, 2017. -
publications
https://www-jmg.ch.cam.ac.uk/publications/6 May 2024: C. Gong, K. R. Przybylak, J. M. Goodman. Computational Toxicology 2021, 20, 100183. ... Plettner Tetrahedron Asymmetry 2009, 20, 449-456. DOI: 10.1016/j.tetasy.2009.02.007. -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html21 Apr 2013: Instead AES should be used (FIPS197 PDF). (20). -
c70
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/c70.html6 May 2024: 16%20)C%21=C%22C%23=C(C%24=C%21C%19=C%25C%26=C%24C%27=C6C%11=C%26C%28=C%10C%12=C%15C%20=C% ... 4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28- -
Jonathan M Goodman
https://www-jmg.ch.cam.ac.uk/jmg.html19 May 2024: applications group (2005-2024; privacy; last updated May 20, 2024. -
dracorubin
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/dracorubin.html6 May 2024: 20-11-7-4-8-12-20)30-28(37-31(18)29)17-26(34-2)21-13-14-24(36-32(21)30)19-9-5-3-6-10- ... 18,10,17,13,20,34,36,12,24,19/E:(5,6)(7,8)(9,10)(11,12)/it:im/rA:37nCCCCCCCCCCCOCCCCCCOCCCCOCCCCCCCCCOCOC/rB:d1;s2;d3;s4;s1d5;s4;d7; -
notes for new users
https://www-jmg.ch.cam.ac.uk/cil/SGTL/newuser.html6 May 2024: As a rough guide, try not to use more than 20 Mb of disk space.
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