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Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html21 Apr 2013: Submission of data is open, but peer reviewed and the database contains over 5000 spectra - and fewer compounds - submitted by fewer than 20 people. -
DNA (ten base pairs)
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/dna10.html13 Jul 2024: O[C@](N%20[C@@](N([H])[C@]([C@@]([C@@]([H])([H])[H])=[C@]%20[H])=O)=O)([H])[C@@]([H])([H])[C@@]%19([H])O[P@](O)(O[C@@]([H])([ ... 66(129-19-39(2)86(138)124-97(129)146)182-55(44)25-173-202(157,158)192-45-12-67(130-20-40(3)87(139)125-98( -
CIL Index
https://www-jmg.ch.cam.ac.uk/CIL/autoindexB.html24 Aug 2007: Python in bioinformatics and chemical informatics (Chem. Inf. Lett. 2005, 11, #2, 20). ... Open health standards (Chem. Inf. Lett. 2005, 10, #2, 20). buy. -
Calcium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/calcium.html7 Jun 2011: Ca. Calcium. Atomic number : 20. Relative atomic mass (. 12. -
Iridium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/iridium.html7 Jun 2011: Group 9 transition metal. Density / kg m. -3. : 22 560 [290 K]; 20 000 [liquid at m.p.]. -
The Periodic Table
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/table.html7 Jun 2011: You may view additional information on a particular element. Simply click on the element's name or formula in the table below. Pictures representing each element are avaiable on ChemSoc's Visual Elements site. 2. 13. 14. 15. 16. 17. 2. 3. 4. 5. 6. -
Tungsten
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/tungsten.html7 Jun 2011: Melting point / K : 3680 20. Boiling point / K : 5930. -
Hydrogen
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/hydrogen.html7 Jun 2011: Melting point / K : 14.01. Boiling point / K : 20.28. -
Titanium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/titanium.html7 Jun 2011: in average (70 kg) person : 20 mg. -
Chromium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/chromium.html7 Jun 2011: Melting point / K : 2130 20. Boiling point / K : 2945. -
Neptunium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/neptunium.html7 Jun 2011: Group 3 actinide. Density / kg m. -3. : 20 250 [293 K]. -
PDFJSCHSupInf
https://www-jmg.ch.cam.ac.uk/data/forcefield/supinfJSCH2005.pdf8 Jan 2009: MM2 Complex Monomer A MonomerB Complex Interaction RMS geometry. (kJ/mol) (kJ/mol) (kJ/mol) (kJ/mol) (Å)Guanine : Cytosine (WC) opt -132.20 -93.99 -254.95 28.76 ... 0.8620 Guanine dimer (planar) opt -132.20 -132.20 -290.42 26.02 0.7040Guanine -
https://www-jmg.ch.cam.ac.uk/data/solubility/s032probenecid.txt
https://www-jmg.ch.cam.ac.uk/data/solubility/s032probenecid.txt5 Aug 2008: name SMILES InChI Acebutolol CC(C)NCC(O)COC1=C(C(C)=O)C=C(NC(CCC)=O)C=C1 ... 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, -
Archive: Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/archive/vol15.html24 Aug 2007: Chemical Informatics Letters. Editor:Volume 15. (1). Optical Structure Recognition Application (OSRA). OSRA is a free program which converts pictures of molecules (in most common formats, including PDF, GIF, JPEG, PNG, TIFF) into SMILES. It can be -
InChIKey Collision
https://www-jmg.ch.cam.ac.uk/data/inchi/13 Jul 2024: InChIKey=. ICXJVZHDZFXYQC-RAZYNMGUSA-N. -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html21 Apr 2013: 18, 2004, and the Japanese counterpart patents expire June 20, 2004. -
alphabetical list of countries
https://www-jmg.ch.cam.ac.uk/data/c2k/c2knation.html13 Jul 2024: university of cambridge. alphabetical list of countries. c2k - Alphabetical List of Countries. Total number of countries: 138. Total number of departments: 1857. Democratic Republic of the Congo 1. United States of America 642. Zimbabwe 1. Goodman -
Archive: Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/archive/vol8.html27 Jul 2006: Chemical Informatics Letters. Editor:Volume 8. (1). Science Inventory (January 2004). A searchable catalog of more than 4,000 science activities of the US environmental protection agency (EPA). The site allows keyword searches and highlights nine -
countries in order of number of departments
https://www-jmg.ch.cam.ac.uk/data/c2k/c2knumber.html13 Jul 2024: university of cambridge. countries in order of number of departments. c2k - Countries in Order of Number of Departmnets. Total number of countries: 138. Total number of departments: 1857. United States of America 642. Democratic Republic. of the -
CIL Index
https://www-jmg.ch.cam.ac.uk/CIL/autoindexT.html24 Aug 2007: British PhD Theses (Chem. Inf. Lett. 2007, 15, #2, 20). Theseus. -
8) Appendices
https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa1_br.html8 Nov 2010: 17. 3. 19. 2. 3. 3. 0. 20. 32. 52. -
Germanium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/germanium.html7 Jun 2011: Earth's crust / p.p.m. : 1.8. Residence time / years : 20 000. -
The Elements Sorted by Name
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/elements.html7 Jun 2011: 8. 5. 46. 35. 15. 48. 78. 55. 94. 20. 84. -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html24 Aug 2007: Chemical Informatics Letters. Volume 12, Issue 2; February 2006. Editor: Jonathan M Goodman. 13). 800 billion bases at the Sanger Institute. In January the Wellcome Trust Sanger Institute database of DNA sequences reached one billion entries. At 22 -
index of InChI
https://www-jmg.ch.cam.ac.uk/data/molecules/inchiindex.html13 Jul 2024: university of cambridge. index of InChI. Goodman Group, 2005-2024; privacy; last updated July 13, 2024. -
https://www-jmg.ch.cam.ac.uk/data/solubility/s100.txt
https://www-jmg.ch.cam.ac.uk/data/solubility/s100.txt15 Apr 2008: 4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2) ... 20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1 orbifloxacin 25.09 No precipitation detected. -
Archive: Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/archive/vol9.html27 Jul 2006: Instead AES should be used (FIPS197 PDF). (20). -
CIL Index
https://www-jmg.ch.cam.ac.uk/CIL/autoindexG.html24 Aug 2007: Google hosting for open source (Chem. Inf. Lett. 2006, 13, #2, 20). -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html24 Aug 2007: Chemical Informatics Letters. Volume 13, Issue 2; August 2006. Editor: Jonathan M Goodman. 13). Intute is a free online service providing you with access to the very best Web resources for education and research, replacing PSIgate and related -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html21 Apr 2013: Chemical Informatics Letters. Volume 8, Issue 2; Feburary 2004. Editor: Jonathan M Goodman. 13). Peter Gregory, the Royal Society of Chemistry's director of publishing, comments on open archive initiatives in an editorial in the final issue of -
Archive: Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/archive/vol13.html5 Jan 2007: Chemical Informatics Letters. Editor:Volume 13. (1). Definition and exchange of crystallographic data. International Tables for Crystallography: Volume G: Definition and exchange of crystallographic data, edited by Sydney Hall and Brian McMahon, is -
CIL Index
https://www-jmg.ch.cam.ac.uk/CIL/autoindexE.html24 Aug 2007: ACS electronic reprint policy (Chem. Inf. Lett. 2006, 12, #2, 20). -
https://www-jmg.ch.cam.ac.uk/CIL/rss/all.xml
https://www-jmg.ch.cam.ac.uk/CIL/rss/all.xml24 Aug 2007: 20) Synthesis Design http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#20 How good are computers at designing syntheses for molecules? ... 20) ACS electronic reprint policy http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#20 ACS Publications has recently -
Announcement of a Competition to Predict Aqueous Solubility
https://www-jmg.ch.cam.ac.uk/data/solubility/pss.doc3 Apr 2008: 20 Marbofloxacin. 21 Meclofenamic acid. 22 Naphthoic acid. 23 (1R, 2R)-(-)- Pseudoephedrine and enantiomer. -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html24 Aug 2007: Chemical Informatics Letters. Volume 14, Issue 2; February 2007. Editor: Jonathan M Goodman. 13). The end of open review in Nature. The editors of Nature have ended their experiment in open review, which allowed authors who passed an initial -
1 Intrinsic Aqueous Solubility Prediction Scoring Sheet Code Name ...
https://www-jmg.ch.cam.ac.uk/data/solubility/pss.pdf3 Apr 2008: N. 20 Marbofloxacin. F. NO. N. N. O. N. OH. O. -
S22-2005 data set: Results with infinite non-bonded cut-offs MM2* ...
https://www-jmg.ch.cam.ac.uk/data/forcefield/summaryS22.pdf22 Jun 2008: 0.12 -0.92 -0.63 0.02 0.02 -0.13MUE 1.29 1.30 1.84 0.98 0.99 1.20 1.07 0.73 0.72 ... 70RMSE 2.37 2.37 2.87 1.19 1.20 1.53 1.44 0.93 0.93 0.78MixedME -2.16 -2.03 -1.67 0.66 0.67 -
CIL Index
https://www-jmg.ch.cam.ac.uk/CIL/autoindexI.html24 Aug 2007: Python in bioinformatics and chemical informatics (Chem. Inf. Lett. 2005, 11, #2, 20). ... Centre International de Recherche Scientifique [CIRS] (Chem. Inf. Lett. 2004, 8, #2, 20). -
CONFORMATION HUNTER: (see Appendix4) The hunter takes the screen ...
https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xbk6_ch.html8 Nov 2010: The default is 20 kcals/mole. All conformers within 20 kcals/mole of the global minimum will be kept up to a maximum (2000 at present)). -
Archive: Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/archive/vol10.html27 Jul 2006: Chemical Informatics Letters. Editor:Volume 10. (1). How much does it cost to publish a paper and then have access to the results? This study looks at the library expenditure for universities in the USA, and divides it by the number of articles -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html21 Apr 2013: Chemical Informatics Letters. Volume 7, Issue 2; August 2003. Editor: Jonathan M Goodman. 13). was mentioned in (Chem. Inf. Lett. 2002, 5, #3, 1). It now has a website, explaining that it is a freely available collection of data about small -
CIL Index
https://www-jmg.ch.cam.ac.uk/CIL/autoindexD.html24 Aug 2007: Department of Informatics, (Chem. Inf. Lett. 2003, 6, #2, 20). Derek. ... Synthesis Design (Chem. Inf. Lett. 2007, 14, #2, 20). designs. -
https://www-jmg.ch.cam.ac.uk/stuff/lactam/cisdimer_mm2_chcl3_mc.log
https://www-jmg.ch.cam.ac.uk/stuff/lactam/cisdimer_mm2_chcl3_mc.log26 Jul 2005: 2 CONF 1 E = -1.34 ( 0.815) rejected by energy CONF 1 E = -15.44 ( 4.976) rejected by energy CONF 1 E = -20.67 ( 0.371) rejected by energy ... E = -57.29 ( 3.711) is unique and stored as structure 20 CONF 1 E = -8.20 ( 0.328) rejected by energy CONF 1 E = -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html21 Apr 2013: Chemical Informatics Letters. Volume 6, Issue 2; February 2003. Editor: Jonathan M Goodman. 13). Electronic journals and retracted articles. Elsevier has removed some articles from the on-line versions of their journals. Some people are outraged -
Archive: Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/archive/vol11.html27 Jul 2006: Chemical Informatics Letters. Editor:Volume 11. (1). The Senate comment on PubChem. This builds on the earlier decision. The Senate report calls upon NIH to "work with the private sector chemical information providers, with the primary goal of -
CIL Index
https://www-jmg.ch.cam.ac.uk/CIL/autoindexA.html24 Aug 2007: ACS electronic reprint policy (Chem. Inf. Lett. 2006, 12, #2, 20). -
APPENDIX 5 FILE FORMATS 17.108 25 25 Ethyl Sulphonamide ...
https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa5_fmt.html8 Nov 2010: 10 11 11 12 12 13 1 14 1 15. 1 16 2 17 2 18 3 19 7 20. ... 1 16 2 17 2 18 3 19 7 20. 7 21 9 22 10 23 12 24 13 25. -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html24 Aug 2007: Chemical Informatics Letters. Volume 15, Issue 2; August 2007. Editor: Jonathan M Goodman. 13). will start using 10-digit registry numbers from January 2008, to allow for the huge number of new molecules being added to the database. The new digit -
https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_amber_vacuo_mc.log
https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_amber_vacuo_mc.log26 Jul 2005: 20.66 ( 0.058) rejected by structure 6 Minimization converged; gradient = 0.353E-01. ... structure 8 CONF 1 E = 20.14 ( 0.170) rejected by energy Minimization converged; gradient = 0.351E-01. -
JSCH2005
https://www-jmg.ch.cam.ac.uk/data/forcefield/summaryJSCH2005.pdf6 Dec 2008: 2.55 2.77 3.20 3.20 3.31 1.93 1.79 2.92 2.93RMSE 3.30 3.42 3.11 4.42 4.42 4.49 ... 4.43 -3.99 -4.43 -4.81 -4.33 -3.69 -3.93MUE 10.45 10.45 10.45 4.66 4.23 4.79 4.85 4.20
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