microarray-ontol-digest Friday, December 7 2001 Volume 01 : Number 015 ---------------------------------------------------------------------- Date: Fri, 16 Nov 2001 18:00:07 -0500 From: Chris Stoeckert Subject: Re: [microarray-ontol] feedback on ontology development Hi Susanna, I'm looking at it now. Seems like it maps a lot of different identifiers from different resources to the same compound and structure which is fantastic but I couldn't get a query to return anything (I tried "ethanol" - hey it's Friday ;-) ). The locator sources is nice although links are not provided for all sources. I also didn't see any place where ChemIDplus provide it's own names or identifiers so while this may be a good linking resource I would be more inclined to use the locator sources as individuals for OntologyEntry or DatabaseEntry. Thanks for pointing it out! Chris On Friday, November 16, 2001, at 11:28 AM, susanna sansone wrote: > Chris, > > Re: the chemistry world > > by the way I forgot to mention ChemIDplus search system in my last > email. It is free at http://chem.sis.nlm.nih.gov/chemidplus/ > > It provides access to structure and nomenclature authority files used > for the identification of chemical substances cited in National Library > of Medicine (NLM) databases. The database contains over 350,000 chemical > records, direct links to many biomedical resources at NLM and on the > Internet for chemicals of interest+ Name and Synonyms, CAS Registry > Number, ID, Molecular Formula, Classification Code, Locator Code, and > Structure (an information icon lists the locator sources and data > element). > > Have you had a look at it? > > Regards, > Susanna > > > susanna sansone wrote: >> >> Dear all, >> >> Re: the chemistry world. >> >> IUPAC has been involved in producing naming systems and terminology >> recommendations >> for a very long time. Many IUPAC and IUBMB recommendations are >> available >> via >> Dr Gerry Moss' website at Queen Mary College >> (www.chem.qmul.ac.uk/iupac), >> and a more complete (PDF) list is at >> http://www.rsc.org/pdf/general/append.pdf >> IUPAC is also hoping to initiate a specific XML project via the >> proposed >> meeting in >> Cambridge, UK, at the end of next January. >> >> IUPAC has 3 ongoing projects >> (http://iupac.chemsoc.org/news/archives/2000/NRT_Report.html): >> >> * The Chemical Identifier project (IChI). >> >> The aim of the project is to establish a unique label, the IUPAC >> Chemical Identifier (IChI), which would be a non-proprietary identifier >> for chemical substances. >> This is now in progress (see >> http://www.iupac.org/projects/2000/2000-025-1-050.html ) >> but has not yet produced a beta-version. They expect this to appear >> before the >> end of the year. >> >> * Chemical Markup Language (CML) >> >> For IUPAC, work in this area is coordinated by the Committee on >> Printed and Electronic Publications. >> Prof.Peter Murray-Rust was largely responsible for the early >> development >> of CML (http://www.oasis-open.org/cover/cml.html) >> and he is still actively involved with it. >> We are in contact with him and he will keep us updated. >> >> Hope is useful. >> >> Regards, >> >> Susanna >> >> Martin Hofmann wrote: >>> >>> Dear Chris, >>> concerning clinical history: how does ICD-9 and SNOMED deal with >>> this? I >>> mean: can you take over categories from these systems? Or just point >>> towards >>> them? I find the concept of "pointing" into other knowledge domains >>> (other >>> ontologies) rather attractive - simply because we cannot cover all the >>> different fields. >>> As far as compounds are concerned, pointing into the Merck Index is a >>> first >>> step. I am not sure at the moment, but if the Merck index contains >>> chemical >>> abstract indices this would be already a big stept forward. However, >>> there >>> are real professional compound registration systems out there which - >>> unfortunately - are commercial but they are also the best systems >>> available >>> to describe, to search and to register compounds. Maybe I can give a >>> few >>> examples at MGED 4 about how the world of chemistry could be linked >>> into the >>> microarray ontology .... >>> >>> So far my comments. Is there anybody out there who has other ideas on >>> the >>> representation of the chemistry world? >>> >>> best wishes, >>> >>> Martin >>> >>> Chris Stoeckert wrote: >>> >>>> Dear Group, >>>> Some things I've been thinking about regarding the MGED Ontology >>>> that I >>>> would appreciate your thoughts on. First let me point you at the html >>>> page: >>>> http://www.cbil.upenn.edu/Ontology/biomaterial11.html >>>> >>>> ClinicalHistory subclasses: Right now the only attributes for >>>> ClinicTreatmentHistory, CurrentDiseaseHistory, and PastMedicalHistory >>>> are those inherited from ClinialHistory (i.e., lab values and >>>> clinical >>>> information). This doesn't strike me as sufficient but I'm not sure >>>> what >>>> else to add. Any suggestions? >>>> >>>> Compund: Compound is "A drug, solvent, chemical, etc., that can be >>>> measured. " I'm changing this class to be a subclass of >>>> OntologyEntry so >>>> that people can point to the Merck Index or catalogs. Any objections? >>>> >>>> OntologyEntry: Not all ontologies are on-line and can be specified >>>> as a >>>> DatabaseEntry. I'm thinking of adding attributes: has_citation, >>>> resource_name. >>>> OK with you? >>>> >>>> BehavioralStimulus: Currently this has no attributes except >>>> has_protocol >>>> inherited from Treatment. I'm thinking of expanding the attributes to >>>> include >>>> stimulus_type. Instances (individuals) for stimulus_type would be >>>> avoidance, reward, deprivation (others?). stimulus_name could also >>>> be an >>>> attribute but I' m not sure how to describe instances like "shock" or >>>> "sleep" and also use a class like Compound. thoughts? >>>> >>>> Cheers, >>>> Chris >>>> >>>> Chris Stoeckert, Ph.D. >>>> Research Associate Professor, Dept. of Genetics >>>> Center for Bioinformatics, University of Pennsylvania >>>> 418 Guardian Dr., Philadelphia, PA 19104 >>>> Ph:215-573-4409 FAX:215-573-3111 >>> >>> -- >>> Dr. Martin Hofmann >>> Executive Project Director >>> LION bioscience AG >>> Im Neuenheimer Feld 515 >>> 69120 Heidelberg >>> Germany >>> phone: (+49)-6221-4038-120 >>> cell.: (+49)-(0)173-9303828 >>> fax: (+49)-6221-4038-401 >>> e-mail: martin.hofmann@lionbioscience.com >>> www: http://www.lionbioscience.com >> >> -- >> ******** >> Assunta Susanna Sansone, PhD >> >> Microarray Informatics Team >> >> EBI - The European >> Bioinformatics Institute >> EMBL Outstation - Hinxton >> Wellcome Trust Genome Campus >> Cambridge CB10 1SD, UK >> >> email: sansone@ebi.ac.uk >> direct: +44 (0)1223 494 691 >> fax: +44 (0)1223 494 468 >> http://www.ebi.ac.uk/microarray >> ******** > > -- > ******** > Assunta Susanna Sansone, PhD > > Microarray Informatics Team > > EBI - The European > Bioinformatics Institute > EMBL Outstation - Hinxton > Wellcome Trust Genome Campus > Cambridge CB10 1SD, UK > > email: sansone@ebi.ac.uk > direct: +44 (0)1223 494 691 > fax: +44 (0)1223 494 468 > http://www.ebi.ac.uk/microarray > ******** > ------------------------------ Date: Mon, 19 Nov 2001 12:53:11 +0000 From: susanna sansone Subject: Re: [microarray-ontol] feedback on ontology development Hi Chris, well looks like "ethanol" comes up immediately here on monday morning too ;-P !! Actually the ID provided is the CAS# (e.g. ethanol= ID:000108952 CAS Number:108-95-2), but as you point it out: >it maps a lot of different identifiers from different resources to the same compound and structure. And also lists synonyms... but let's see what P. Murray-Rust will tell us. Bye for now, Susanna Chris Stoeckert wrote: > > Hi Susanna, > I'm looking at it now. Seems like it maps a lot of different identifiers > from different resources to the same compound and structure which is > fantastic but I couldn't get a query to return anything (I tried > "ethanol" - hey it's Friday ;-) ). The locator sources is nice although > links are not provided for all sources. I also didn't see any place > where ChemIDplus provide it's own names or identifiers so while this may > be a good linking resource I would be more inclined to use the locator > sources as individuals for OntologyEntry or DatabaseEntry. > Thanks for pointing it out! > Chris > > On Friday, November 16, 2001, at 11:28 AM, susanna sansone wrote: > > > Chris, > > > > Re: the chemistry world > > > > by the way I forgot to mention ChemIDplus search system in my last > > email. It is free at http://chem.sis.nlm.nih.gov/chemidplus/ > > > > It provides access to structure and nomenclature authority files used > > for the identification of chemical substances cited in National Library > > of Medicine (NLM) databases. The database contains over 350,000 chemical > > records, direct links to many biomedical resources at NLM and on the > > Internet for chemicals of interest+ Name and Synonyms, CAS Registry > > Number, ID, Molecular Formula, Classification Code, Locator Code, and > > Structure (an information icon lists the locator sources and data > > element). > > > > Have you had a look at it? > > > > Regards, > > Susanna > > > > > > susanna sansone wrote: > >> > >> Dear all, > >> > >> Re: the chemistry world. > >> > >> IUPAC has been involved in producing naming systems and terminology > >> recommendations > >> for a very long time. Many IUPAC and IUBMB recommendations are > >> available > >> via > >> Dr Gerry Moss' website at Queen Mary College > >> (www.chem.qmul.ac.uk/iupac), > >> and a more complete (PDF) list is at > >> http://www.rsc.org/pdf/general/append.pdf > >> IUPAC is also hoping to initiate a specific XML project via the > >> proposed > >> meeting in > >> Cambridge, UK, at the end of next January. > >> > >> IUPAC has 3 ongoing projects > >> (http://iupac.chemsoc.org/news/archives/2000/NRT_Report.html): > >> > >> * The Chemical Identifier project (IChI). > >> > >> The aim of the project is to establish a unique label, the IUPAC > >> Chemical Identifier (IChI), which would be a non-proprietary identifier > >> for chemical substances. > >> This is now in progress (see > >> http://www.iupac.org/projects/2000/2000-025-1-050.html ) > >> but has not yet produced a beta-version. They expect this to appear > >> before the > >> end of the year. > >> > >> * Chemical Markup Language (CML) > >> > >> For IUPAC, work in this area is coordinated by the Committee on > >> Printed and Electronic Publications. > >> Prof.Peter Murray-Rust was largely responsible for the early > >> development > >> of CML (http://www.oasis-open.org/cover/cml.html) > >> and he is still actively involved with it. > >> We are in contact with him and he will keep us updated. > >> > >> Hope is useful. > >> > >> Regards, > >> > >> Susanna > >> > >> Martin Hofmann wrote: > >>> > >>> Dear Chris, > >>> concerning clinical history: how does ICD-9 and SNOMED deal with > >>> this? I > >>> mean: can you take over categories from these systems? Or just point > >>> towards > >>> them? I find the concept of "pointing" into other knowledge domains > >>> (other > >>> ontologies) rather attractive - simply because we cannot cover all the > >>> different fields. > >>> As far as compounds are concerned, pointing into the Merck Index is a > >>> first > >>> step. I am not sure at the moment, but if the Merck index contains > >>> chemical > >>> abstract indices this would be already a big stept forward. However, > >>> there > >>> are real professional compound registration systems out there which - > >>> unfortunately - are commercial but they are also the best systems > >>> available > >>> to describe, to search and to register compounds. Maybe I can give a > >>> few > >>> examples at MGED 4 about how the world of chemistry could be linked > >>> into the > >>> microarray ontology .... > >>> > >>> So far my comments. Is there anybody out there who has other ideas on > >>> the > >>> representation of the chemistry world? > >>> > >>> best wishes, > >>> > >>> Martin > >>> > >>> Chris Stoeckert wrote: > >>> > >>>> Dear Group, > >>>> Some things I've been thinking about regarding the MGED Ontology > >>>> that I > >>>> would appreciate your thoughts on. First let me point you at the html > >>>> page: > >>>> http://www.cbil.upenn.edu/Ontology/biomaterial11.html > >>>> > >>>> ClinicalHistory subclasses: Right now the only attributes for > >>>> ClinicTreatmentHistory, CurrentDiseaseHistory, and PastMedicalHistory > >>>> are those inherited from ClinialHistory (i.e., lab values and > >>>> clinical > >>>> information). This doesn't strike me as sufficient but I'm not sure > >>>> what > >>>> else to add. Any suggestions? > >>>> > >>>> Compund: Compound is "A drug, solvent, chemical, etc., that can be > >>>> measured. " I'm changing this class to be a subclass of > >>>> OntologyEntry so > >>>> that people can point to the Merck Index or catalogs. Any objections? > >>>> > >>>> OntologyEntry: Not all ontologies are on-line and can be specified > >>>> as a > >>>> DatabaseEntry. I'm thinking of adding attributes: has_citation, > >>>> resource_name. > >>>> OK with you? > >>>> > >>>> BehavioralStimulus: Currently this has no attributes except > >>>> has_protocol > >>>> inherited from Treatment. I'm thinking of expanding the attributes to > >>>> include > >>>> stimulus_type. Instances (individuals) for stimulus_type would be > >>>> avoidance, reward, deprivation (others?). stimulus_name could also > >>>> be an > >>>> attribute but I' m not sure how to describe instances like "shock" or > >>>> "sleep" and also use a class like Compound. thoughts? > >>>> > >>>> Cheers, > >>>> Chris > >>>> > >>>> Chris Stoeckert, Ph.D. > >>>> Research Associate Professor, Dept. of Genetics > >>>> Center for Bioinformatics, University of Pennsylvania > >>>> 418 Guardian Dr., Philadelphia, PA 19104 > >>>> Ph:215-573-4409 FAX:215-573-3111 > >>> > >>> -- > >>> Dr. Martin Hofmann > >>> Executive Project Director > >>> LION bioscience AG > >>> Im Neuenheimer Feld 515 > >>> 69120 Heidelberg > >>> Germany > >>> phone: (+49)-6221-4038-120 > >>> cell.: (+49)-(0)173-9303828 > >>> fax: (+49)-6221-4038-401 > >>> e-mail: martin.hofmann@lionbioscience.com > >>> www: http://www.lionbioscience.com > >> > >> -- > >> ******** > >> Assunta Susanna Sansone, PhD > >> > >> Microarray Informatics Team > >> > >> EBI - The European > >> Bioinformatics Institute > >> EMBL Outstation - Hinxton > >> Wellcome Trust Genome Campus > >> Cambridge CB10 1SD, UK > >> > >> email: sansone@ebi.ac.uk > >> direct: +44 (0)1223 494 691 > >> fax: +44 (0)1223 494 468 > >> http://www.ebi.ac.uk/microarray > >> ******** > > > > -- > > ******** > > Assunta Susanna Sansone, PhD > > > > Microarray Informatics Team > > > > EBI - The European > > Bioinformatics Institute > > EMBL Outstation - Hinxton > > Wellcome Trust Genome Campus > > Cambridge CB10 1SD, UK > > > > email: sansone@ebi.ac.uk > > direct: +44 (0)1223 494 691 > > fax: +44 (0)1223 494 468 > > http://www.ebi.ac.uk/microarray > > ******** > > - -- ******** Assunta Susanna Sansone, PhD Microarray Informatics Team EBI - The European Bioinformatics Institute EMBL Outstation - Hinxton Wellcome Trust Genome Campus Cambridge CB10 1SD, UK email: sansone@ebi.ac.uk direct: +44 (0)1223 494 691 fax: +44 (0)1223 494 468 http://www.ebi.ac.uk/microarray ******** ------------------------------ Date: Fri, 07 Dec 2001 02:06:43 -0800 From: PTSpellman@lbl.gov Subject: [none] This is a multi-part message in MIME format. - ----492f556d3e22132a Content-Type: text/plain; charset=us-ascii Content-Disposition: inline Content-Transfer-Encoding: 7bit All, Chris Stoeckert and I had a conversation yesterday about MAGE ontologies and at long last I was convinced that some modifications in the biomaterial package need to be made. Specifically: BioSource:Characteristics will be much more powerful if OntologyEntry can effectively become an instantiation of a class in an Ontology (we all know that Objects are more powerful than hierarchies). To do this OntologyEntry needs the ability to have attributes and daughter classes. I propose to solve this by allowing associations to NVT and OE, this effectively allows OE's to contain the information that objects have. Also, BioMaterials at present have no way of inheiriting from BioSources that have different characteristics. One easy way to solve this is to move the Characteristics from BioSource to BioMaterial. A good example is if you were doing a stress test on a mice and you first put it in a large cage and then put it in a small cage. Another example is if during the experiment a mutation occured that change the organisms genotype. A more complex, and potentially better method would be to add characteristics to treatment so that you could have an action change and or measure that alters these parameters. I have attached the BioMaterial png (unmodified) for reference. 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