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The Goodman Group, Cambridge
https://www-jmg.ch.cam.ac.uk/3 Jul 2024: university of cambridge. synthesis, computation and informatics. We use chemical informatics, computational chemistry, machine learning and AI to investigate molecules and to discover more about their structure, reactivity, analytical data and -
ACKNOWLEDGEMENTS. I am grateful to the following people who ...
https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa6_inst.html8 Nov 2010: e.g. /usr/people/jim/xed, /usr/people/jim/data, etc.). Enter the following lines into your /.login file (replace jim with your userid). ... setenv COSMIC_FFF /usr/people/jim/fff. alias xed '$COSMIC/xed'. alias xedsort '$COSMIC/xedsort'. In /xed directory, -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html24 Aug 2007: An academic might have moved the resource on moving institution. A company might maintain a resource with different people. ... This summary of UK law from the RNIB explains the legal requirements for making websites accessible to disabled people. -
Goodman Group Members
https://www-jmg.ch.cam.ac.uk/people.html3 Jul 2024: university of cambridge. group members. Jonathan Goodman. Ching Ching Lam. Katie Beckwith. Ruslan Kotlyarov. Henrique Marcon. Matthew Edge. Benji Rowlands. Kerstin van Borries. Tom Maltby. Alex Lapsley. Roger Linington (Visiting Professor). Mengman -
Goodman Group Members
https://www-jmg.ch.cam.ac.uk/members.html1 Apr 2013: the goodman group. university of cambridge. group members. Group Leader. Dr Jonathan Goodman. Soon to be updated. Goodman Group, 2005-2013; privacy; last updated April 1, 2013. -
Jonathan M Goodman
https://www-jmg.ch.cam.ac.uk/jmg.html3 Jul 2024: university of cambridge. jonathan goodman. Professor of Chemistry at the University of Cambridge. Fellow of Clare College. formerly Publons and ResearcherID: A-2123-2008). Jonathan Goodman studied boron-mediated aldol reactions during his PhD with -
tools
https://www-jmg.ch.cam.ac.uk/tools.html3 Jul 2024: university of cambridge. tools. Software developed in the Goodman Research Group is available in this directory. This program combines. into a single executable, and adds many extra commands. Acca Documentation is available. CP3 - NMR comparison -
Contact the Goodman Group
https://www-jmg.ch.cam.ac.uk/contact.html3 Jul 2024: university of cambridge. contact. Email:. Tel:. 44 (0)1223 336434. Write:. Yusuf Hamied Department of Chemistry,. Lensfield Road,. Cambridge,. CB2 1EW. Goodman Group, 2005-2024; privacy; last updated July 4, 2024. -
Search
https://www-jmg.ch.cam.ac.uk/search.html3 Jul 2024: university of cambridge. search. the chemistry department webservers. Search. the Goodman Group webserver. Search. the index of chemistry departments worldwide. Search. publications from the Cambridge chemistry department. Search. the Cambridge -
Chemical History
https://www-jmg.ch.cam.ac.uk/history.html3 Jul 2024: university of cambridge. chemical history. Today in Chemical History: Thursday, July 4th, 2024. Born on this day, 1853; Ob. 1923. Professor of physical chemistry at Leipzig, Giessen, Erlangen and then Berlin. Discoverer of the2005-2024; privacy; -
Former Group Members
https://www-jmg.ch.cam.ac.uk/oldmembers.html3 Jul 2024: university of cambridge. former group members. Russell Currie. Stephen Smith. Post Doctoral Researchers. Dr Antonio Llinas-----Dr Maxim Fedorov. PhD Candidates. John Brazier----------Ingrid Socorro-----Catherine Tubb----. Rob Paton----------Sergiy -
studies
https://www-jmg.ch.cam.ac.uk/studies.html3 Jul 2024: university of cambridge. studies. A series of representations of an enzyme moving. experimental data checker. Check molecular data in theses and papers - project with the RSC andCheck molecular weights, find formulae from high-resolution mass spec -
computational biological chemistry
https://www-jmg.ch.cam.ac.uk/cil/SGTL/bio/index.html6 May 2024: university of cambridge. computational biological chemistry. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Computational Biological -
Magnus
https://www-jmg.ch.cam.ac.uk/tools/magnus/6 May 2024: university of cambridge. Magnus. Experimental Data Checker__. RSC experimental data checker. Periodic Table: atomic and molecular properties. Kinetics and Thermodynamics. Miscellaneous. a javascript program to calculate quantities for reactions -
c2k
https://www-jmg.ch.cam.ac.uk/data/c2k/6 May 2024: university of cambridge. c2k. Two thousand of the best chemistry sites. All of these sites are checked every month; 140 countries listed. This index and the programs used to maintain it are developed in thei) Organic. (vi) Engineering and Technology. -
chemistry in the USA
https://www-jmg.ch.cam.ac.uk/data/c2k/usa.html6 May 2024: university of cambridge. chemistry in the USA. c2k - Chemistry in the USA. In the USA, a 'College' is usually an institution which does not prepare students for research degrees. USA. This index and the programs used to maintain it are developed in -
chemistry in the rest of the world
https://www-jmg.ch.cam.ac.uk/data/c2k/world.html6 May 2024: university of cambridge. chemistry in the rest of the world. c2k - Chemistry in the Rest of the World. The Rest of the World. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2019. The -
NMR calculation resources: CP3 and DP4
https://www-jmg.ch.cam.ac.uk/tools/nmr/6 May 2024: university of cambridge. Assignment of stereochemistry and structure using CP3 and DP4. Resources. Publications. DP4-AI Automated NMR Data Analysis: Straight from Spectrometer to Structure. A. Howarth, K. Ermanis and J. M. Goodman. Chemical Science -
data
https://www-jmg.ch.cam.ac.uk/data/6 May 2024: university of cambridge. data. Chemical Literature. Subscription required:. New molecules. Part III data. 2005-2024; privacy; last updated May 6, 2024. -
silicon graphics teaching laboratory
https://www-jmg.ch.cam.ac.uk/cil/SGTL/6 May 2024: university of cambridge. silicon graphics teaching laboratory. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Silicon Graphics Teaching -
chemistry in europe
https://www-jmg.ch.cam.ac.uk/data/c2k/europe.html6 May 2024: university of cambridge. chemistry in europe. c2k - Chemistry in Europe. The Rest of Europe. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2019. The Rest of Europe. Albania. -
chemistry in the united kingdom
https://www-jmg.ch.cam.ac.uk/data/c2k/uk.html6 May 2024: university of cambridge. chemistry in the united kingdom. c2k - Chemistry in the UK. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2021. United Kingdom. University Chemistry -
Molecules
https://www-jmg.ch.cam.ac.uk/tools/magnus/molecules/6 May 2024: university of cambridge. Molecules. Simple Structures. chair, boat, twist boat, methyl cyclohexane. Fused rings: trans-decalin, cis-decalin, bicyclo [2.2.2] octane, bicyclo [2.2.1] heptane (norbornane), adamantane. Other saturated rings: cyclo -
Solubility Challenge
https://www-jmg.ch.cam.ac.uk/data/solubility/6 May 2024: university of cambridge. Solubility Challenge. Can You Predict Solubilities of Thirty-Two Molecules Using a Database of One Hundred Reliable Measurements? J. Chem. Inf. Modeling 2008, 48, 1289-1303. DOI: 10.1021/ci800058v. Antonio Llinàs, Robert C. -
molecules
https://www-jmg.ch.cam.ac.uk/data/molecules/6 May 2024: university of cambridge. molecules. index of:. Notes. Interactive molecules using Jmol. SMILES strings from ChemDraw Pro. Canonical SMILES fromfrom cInChI version 1. MInChI is an experiment. Goodman Group, 2005-2024; privacy; last updated May 6, 2024 -
chemical database service
https://www-jmg.ch.cam.ac.uk/cil/SGTL/CDS.html6 May 2024: university of cambridge. chemical database service. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Chemical Database Service at Daresbury. -
chemistry journals
https://www-jmg.ch.cam.ac.uk/data/c2k/cj/6 May 2024: university of cambridge. chemistry journals. Chemistry Journals. Since 1995, this page has held one of the world's most comprehensive and up-to-date lists of internet-linked chemistry-related journals. Links Last Checked: June 2013 (If a link proved -
macromodel
https://www-jmg.ch.cam.ac.uk/cil/mmod.html6 May 2024: If two people draw cyclohexane and minimise it, one might get a chair conformation and the other a twist boat. -
chemical data
https://www-jmg.ch.cam.ac.uk/data/c2k/data.html6 May 2024: university of cambridge. chemical data. Chemical Data. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2019. Databases at Cambridge. Databases available from within the department of -
Consecutive reactions
https://www-jmg.ch.cam.ac.uk/tools/magnus/kinetic.html6 May 2024: university of cambridge. Consecutive reactions. Consecutive first step reversible reactions. A turns into B, with rate constant k. 1. , which turns into C, with rate constant k. 2. Now, B can turn back into A, with rate constant k. -1. Sorry, your -
Kinetic Resolution Calculation
https://www-jmg.ch.cam.ac.uk/tools/magnus/KinRes.html6 May 2024: university of cambridge. Kinetic Resolution Calculation. Kinetic Resolution Calculation. Sorry, your web browser does not support java. The equations used by this applet were developed by H B Kagan. References are given in the paper: J M Goodman, -
utilities
https://www-jmg.ch.cam.ac.uk/cil/utilities.html6 May 2024: batq. List all jobs on the batch queues, including those submitted by other people (note. -
maestro - building molecules
https://www-jmg.ch.cam.ac.uk/cil/build.html6 May 2024: university of cambridge. maestro - building molecules. Maestro - Building Molecules. The Build panel for Maestro (Menu:. Project->Build. ) starts with the Fragments option displayed. Clicking on any of the fragments in the list and then clicking in -
InChIKey Collision
https://www-jmg.ch.cam.ac.uk/data/inchi/6 May 2024: university of cambridge. InChIKey Collision. Two isomers of spongistatin: One InChIKey. InChIKey=. ICXJVZHDZFXYQC-RAZYNMGUSA-N. InChI=1S/C63H95ClO21/c1-33(19-42(67)18-17-35(3)64)20-53-55(72)57-39(7)58(79-53)59(73)63(75)31-51(70)37(5)52(85-63)16-14-12 -
chemists in the academic world
https://www-jmg.ch.cam.ac.uk/data/c2k/people/6 May 2024: university of cambridge. chemists in the academic world. Chemists in the Academic World. UK Universities. European Universities. USA Universities. Universities in the Rest of the World. The Java version is a single file of about 500 kB. It sometimes -
jaguar
https://www-jmg.ch.cam.ac.uk/cil/jaguar.html6 May 2024: university of cambridge. jaguar. Jaguar may be used as an independent program, but it is easiest to set up calculations using the Maestro interface. Documentation as PDF files in the directory: /usr/glea/schrodinger/docs/jaguar4/pdf/. Helpful -
using a local directory
https://www-jmg.ch.cam.ac.uk/cil/SGTL/localdir.html6 May 2024: university of cambridge. using a local directory. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Using a local directory. The Silicon -
Strecker Reaction
https://www-jmg.ch.cam.ac.uk/publications/ja808715j.html6 May 2024: university of cambridge. Strecker Reaction. Mechanism of BINOL-Phosphoric Acid-Catalyzed Strecker Reaction of Benzyl Imines. L. Simon and J. M. Goodman J. Am. Chem. Soc. 2009. 131, asap. DOI:Building on the work reported in ja800793t we examined -
chemistry societies, online clubs and companies
https://www-jmg.ch.cam.ac.uk/data/c2k/society.html6 May 2024: university of cambridge. chemistry societies, online clubs and companies. c2k - Chemistry Societies. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2019. Learned Societies. June 2019). -
Hantzsch Ester Hydrogenation
https://www-jmg.ch.cam.ac.uk/publications/ja800793t.html6 May 2024: university of cambridge. Hantzsch Ester Hydrogenation. Theoretical Study of the Mechanism of Hantzsch Ester Hydrogenation of Imines Catalyzed by Chiral BINOL-Phosphoric Acids. L. Simón and J. M. Goodman J. Am. Chem. Soc. 2008, 130, 8741-8747. This -
Isomer Count
https://www-jmg.ch.cam.ac.uk/tools/isomercount/6 May 2024: university of cambridge. Exploration of the Accessible Chemical Space of Acyclic Alkanes. A problem that has long interested chemists has been to calculate the number of isomers for an alkane of any given carbon content. Whilst there appears to be -
Eadfrith
https://www-jmg.ch.cam.ac.uk/software/eadfrith.html6 May 2024: university of cambridge. Eadfrith. The molecular display program Eadfrith is available for downloading from this page. Eadfrith is described in: J. Mol. Graph. 1996, 14, 59-61. J. M. Goodman. Please cite this reference if you use the program. -
Genetic Algorithm Conformation Search (gacs)
https://www-jmg.ch.cam.ac.uk/software/gacs.html6 May 2024: university of cambridge. Genetic Algorithm Conformation Search (gacs). A detailed description of gacs and its applications have been published:. J. Chem. Inf. and Comp. Sci. (1998) N. Nair and J. M. Goodman, 1998, 38, 317-320. Goodman Group, -
setting priorities
https://www-jmg.ch.cam.ac.uk/cil/SGTL/nice.html6 May 2024: university of cambridge. setting priorities. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Setting Priorities. Long calculations (this -
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 -
flip
https://www-jmg.ch.cam.ac.uk/software/flip.html6 May 2024: university of cambridge. flip. The stereoinverting program 'flip' is available for downloading from this page. A full description of the program is available: J. Chem. Soc. Perkin II (1997) A. Bueno Saz and J. M. Goodman, 1201-1204. Please cite this -
chng
https://www-jmg.ch.cam.ac.uk/software/chng.html6 May 2024: university of cambridge. chng. The program 'chng' which mutates molecules is available for downloading from this page. A full description of the program is available: J. Chem. Soc. Perkin II (1997) A. G. Leach and J. M. Goodman, 1205-1208. Please -
cerius2
https://www-jmg.ch.cam.ac.uk/cil/SGTL/cerius2.html6 May 2024: The license will only allow a very limited number of people to run Cerius2 concurrently, so it is possible that you will get a license error. -
ACCA
https://www-jmg.ch.cam.ac.uk/software/acca.html6 May 2024: university of cambridge. ACCA. This program combines. into a single executable, and adds many extra commands. Descriptions of some parts of Acca have been published:. J. Chem. Soc. Perkin II (1997) A. Bueno Saz and J. M. Goodman, 1201-1204. J. Chem. -
printing
https://www-jmg.ch.cam.ac.uk/cil/SGTL/print.html6 May 2024: university of cambridge. printing. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Printing. To print out files, use an ethernet connected
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