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practical three: quantitative drug design
https://www-jmg.ch.cam.ac.uk/cil/SGTL/prac3.html6 May 2024: university of cambridge. practical three: quantitative drug design. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Practical Three: -
proline
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/pro.html6 May 2024: university of cambridge. proline. Proline. Pro. P. SMILES. OC([C@@]1([H])NCCC1)=O. Canonical SMILES OC(=O)C1CCCN1. InChI. InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1. -
phenylalanine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/phe.html6 May 2024: university of cambridge. phenylalanine. Phenylalanine. Phe. F. SMILES. N[C@](CC1=CC=CC=C1)([H])C(O)=O. Canonical SMILES NC(Cc1ccccc1)C(=O)O. InChI. InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1. AuxInfo=1/1/N:8,7,9 -
arginine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/arg.html6 May 2024: university of cambridge. arginine. arginine. Arg. R. SMILES. N[C@@H](CCCNC(N)=N)C(O)=O. Canonical SMILES NC(CCCNC(=N)N)C(=O)O. InChI. InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1. AuxInfo=1/1/N:4,3,5,2,10,7 -
ethane
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/ethane.html6 May 2024: university of cambridge. ethane. SMILES. CC. Canonical SMILES. CC. InChI. InChI=1/C2H6/c1-2/h1-2H3. AuxInfo=1/0/N:1,2/E:(1,2)/rA:2nCC/rB:s1;/rC:-.3572,.2062,0;.3572,-.2062,0;. MInChI v0.9. MInChIxe1 C2H6 c1xh2xsh1xh2 H3. Structure files. Updated: 9 -
teaching and computers
https://www-jmg.ch.cam.ac.uk/cil/SGTL/teach/6 May 2024: university of cambridge. teaching and computers. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Teaching and Computers. How can Computers be -
alanine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/ala.html6 May 2024: university of cambridge. alanine. alanine. Ala. A. SMILES. N[C@@H](C)C(O)=O. Canonical SMILES CC(N)C(=O)O. InChI. InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1. -
tyrosine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/tyr.html6 May 2024: university of cambridge. tyrosine. Tyrosine. Tyr. Y. SMILES. N[C@@](C(O)=O)([H])CC1=CC=C(O)C=C1. Canonical SMILES NC(Cc1ccc(O)cc1)C(=O)O. InChI. InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1. -
Solutions to Kinetic Equations
https://www-jmg.ch.cam.ac.uk/software/kin_demo.html6 May 2024: university of cambridge. Solutions to Kinetic Equations. A detailed description of these programs has been submitted for publication:. J. Chem. Ed. (1999) 76, 275-277. Goodman Group, 2005-2024; privacy; last updated May 6, 2024. -
java
https://www-jmg.ch.cam.ac.uk/cil/SGTL/java.html6 May 2024: university of cambridge. java. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Java. Java is an object oriented programming language,
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