Author: gnaylor
Date: Thu Jul 14 19:15:25 2016
New Revision: 1752725

URL: http://svn.apache.org/viewvc?rev=1752725&view=rev
Log:
Add Overview header, TOC, and horiz rules

Modified:
    incubator/taverna/site/trunk/content/introduction/chemistry-web-services.md

Modified: 
incubator/taverna/site/trunk/content/introduction/chemistry-web-services.md
URL: 
http://svn.apache.org/viewvc/incubator/taverna/site/trunk/content/introduction/chemistry-web-services.md?rev=1752725&r1=1752724&r2=1752725&view=diff
==============================================================================
--- incubator/taverna/site/trunk/content/introduction/chemistry-web-services.md 
(original)
+++ incubator/taverna/site/trunk/content/introduction/chemistry-web-services.md 
Thu Jul 14 19:15:25 2016
@@ -16,40 +16,45 @@ Notice:    Licensed to the Apache Softwa
            specific language governing permissions and limitations
            under the License.
 
+## Overview
 This document describes a set of chemistry services provided by 
[ChemSpider][1], [ChEBI][2] and [PubChem][3]
   that can be used for the construction of chemistry workflows from the 
Taverna Workbench.
 
-Example workflows contained in the document show how some of the operations 
from the services in the set can 
-  be invoked. 
+Example workflows contained in the document show how some of the operations 
from the services in the set can
+  be invoked.
 They can also be downloaded as part of the [Chemistry Workflows pack][4] at 
myExperiment.
 
+### Contents
+[TOC]
+
+-----
 <a name="chemspider"></a>
-##<h2>ChemSpider##
+## ChemSpider
 
-[ChemSpider][5] is a chemistry search engine that has been built with the 
intention of aggregating and indexing 
-   chemical structures and  their associated information into a single 
searchable repository and making it 
+[ChemSpider][5] is a chemistry search engine that has been built with the 
intention of aggregating and indexing
+   chemical structures and  their associated information into a single 
searchable repository and making it
    freely available to everybody.
 
 ChemSpider provides several Web services, and these are listed below together 
with their WSDL locations.
 
-###InChi Web service###
+### InChi Web service
 WSDL: [http://www.chemspider.com/InChI.asmx?WSDL][6]
 
-<img src="/img/biocatalogue-smallcog.png" alt="BioCatalogue icon" width="16" 
height="16" /> 
+<img src="/img/biocatalogue-smallcog.png" alt="BioCatalogue icon" width="16" 
height="16" />
 In BioCatalogue: [http://www.biocatalogue.org/services/2164][7]
 
-The InChI Web service provides operations to manipulate InChI Strings and 
InChIKeys, 
-   including the conversion to and from the  MOL file format, validity 
checking of InChI identifiers, 
+The InChI Web service provides operations to manipulate InChI Strings and 
InChIKeys,
+   including the conversion to and from the  MOL file format, validity 
checking of InChI identifiers,
    and searching  ChemSpider using InChI inputs.
 
-Some of the Web service&#8217;s operations listed below require a 
&#8220;security  token&#8221;. 
-A security token can be obtained by completing the registration process for 
ChemSpider at 
+Some of the Web service&#8217;s operations listed below require a 
&#8220;security  token&#8221;.
+A security token can be obtained by completing the registration process for 
ChemSpider at
 [http://www.chemspider.com/Register.aspx][8].
 
 The following operations are contained within the InChI Web service:
 
  - CSIDToMol   
-   Converts a ChemSpider identifier to a MOL file. A security token is 
required to get access to this 
+   Converts a ChemSpider identifier to a MOL file. A security token is 
required to get access to this
    service.   
    [Example workflow][9]
 
@@ -62,7 +67,7 @@ The following operations are contained w
    [Example workflow][11]
 
  - GenerateInChIKey   
-   Returns a hashed InChI key which is a fixed length (25 character) condensed 
digital representation of 
+   Returns a hashed InChI key which is a fixed length (25 character) condensed 
digital representation of
       the input InChI string that is not  human-understandable.   
    [Example workflow][12]
 
@@ -113,25 +118,25 @@ The following operations are contained w
    Converts a SMILES string to an InChI string. The result is returned as a  
v1.02s InChI string.   
    [Example workflow][25]
 
-###OpenBabel Web service###
+### OpenBabel Web service
 WSDL: [http://www.chemspider.com/OpenBabel.asmx?WSDL][26]
 
  - convert   
-   Converts a molecule represented in one format to another. 
-   For a list of valid format values, please visit [openbabel][27]. 
+   Converts a molecule represented in one format to another.
+   For a list of valid format values, please visit [openbabel][27].
    An empty string is returned in case of failure.   
    [Example workflow][28]
 
-###Mass spec API Web service###
+### Mass spec API Web service
 
 WSDL: [http://www.chemspider.com/MassSpecAPI.asmx?WSDL][29]   
-<img src="/img/biocatalogue-smallcog.png" alt="BioCatalogue icon" width="16" 
height="16" /> 
+<img src="/img/biocatalogue-smallcog.png" alt="BioCatalogue icon" width="16" 
height="16" />
 In BioCatalogue: [http://www.biocatalogue.org/services/2040][30]
 
 
  - GetCompressedRecordsSdf   
-   Returns a SDF file containing records of compounds found by an asynchronous 
search operation. 
-   A security token associated with &#8216;Service Subscriber&#8217; 
+   Returns a SDF file containing records of compounds found by an asynchronous 
search operation.
+   A security token associated with &#8216;Service Subscriber&#8217;
    role is required to access this operation.   
    Example workflow not available since a &#8216;Service Subscriber&#8217; 
role is required by the user.
 
@@ -140,29 +145,29 @@ In BioCatalogue: [http://www.biocatalogu
    [Example workflow][31]
 
  - GetExtendedCompoundInfo   
-   Returns extended record details for a given ChemSpider identifier. 
+   Returns extended record details for a given ChemSpider identifier.
    A security token is required to access this service.   
    [Example workflow][32]
 
  - GetExtendedCompoundInfoArray   
-   Returns an array of extended record details from an array of ChemSpider 
identifiers. 
+   Returns an array of extended record details from an array of ChemSpider 
identifiers.
    A security  token is required to access this service.   
    [Example workflow][33]
 
  - GetRecordMol   
-   Returns a ChemSpider record in MOL format or an empty string in case of  
failure. 
-   The cacl3d parameter specifies whether 3D coordinates should be calculated 
before returning record data. 
+   Returns a ChemSpider record in MOL format or an empty string in case of  
failure.
+   The cacl3d parameter specifies whether 3D coordinates should be calculated 
before returning record data.
    A security token is required to access this service.    
    [Example workflow][34]
 
  - GetRecordsSdf   
    Returns a SDF file containing records found by an asynchronous search 
operation.  
-   A security token associated with the &#8216;Service Subscriber&#8217; 
+   A security token associated with the &#8216;Service Subscriber&#8217;
       role is required to access this operation.   
    Example workflow not available since a Service Subscriber role is  required 
by the user.
 
  - SearchByFormula   
-   Search ChemSpider compounds by molecular formula within a specified  list 
of datasources. 
+   Search ChemSpider compounds by molecular formula within a specified  list 
of datasources.
    This operation is deprecated and will be removed soon &#8211;  use 
SearchByFormulaAsync instead.   
    Example workflow not available since this operation is deprecated.
 
@@ -171,12 +176,12 @@ In BioCatalogue: [http://www.biocatalogu
    Example workflow not available since this operation is deprecated.
 
  - SearchByFormulaAsync   
-   Searches ChemSpider compounds by molecular formula within a specified 
datasources list. 
+   Searches ChemSpider compounds by molecular formula within a specified 
datasources list.
    Security token is required to get access to this  service.   
    [Example workflow][35]
 
  - SearchByMass   
-   Searches ChemSpider compounds by mass +/- range within specified 
datasources list. 
+   Searches ChemSpider compounds by mass +/- range within specified 
datasources list.
    This operation is deprecated and will be removed soon &#8211; use 
SearchByMassAsync instead.   
    Example workflow not available since this operation is deprecated.
 
@@ -185,10 +190,10 @@ In BioCatalogue: [http://www.biocatalogu
    Example workflow not available since this operation is deprecated.
 
  - SearchByMassAsync   
-   Searches ChemSpider compounds by mass +/- range within a specified  
datasources list. 
+   Searches ChemSpider compounds by mass +/- range within a specified  
datasources list.
    A security token is required to access this  service.
 
-###Spectra Web service###
+### Spectra Web service
 WSDL: [http://www.chemspider.com/Spectra.asmx?WSDL][36]
 
  - GetAllSpectraInfo   
@@ -203,15 +208,16 @@ WSDL: [http://www.chemspider.com/Spectra
    Returns information about a particular spectrum identified by its spc_id 
parameter   
    [Example workflow][39]
 
-###Compound search Web service###
+### Compound search Web service
 WSDL: [http://www.chemspider.com/Search.asmx?WSDL][40]   
-<img src="/pages/wp-content/uploads/2010/07/biocatalogue-smallcog.png" 
alt="BioCatalogue icon" width="16" height="16" /> In BioCatalogue: </span><a 
href="http://www.biocatalogue.org/services/1932"; 
target="_blank">http://www.biocatalogue.org/services/1932</a>
+<img src="/pages/wp-content/uploads/2010/07/biocatalogue-smallcog.png" 
alt="BioCatalogue icon" width="16" height="16" /> In BioCatalogue: </span>
+<a href="http://www.biocatalogue.org/services/1932"; 
target="_blank">http://www.biocatalogue.org/services/1932</a>
 
  - AsyncSimpleSearch   
-   Searches for molecules based on the entered search terms. 
-   The operation returns a transaction ID which can be used to access the 
status of the search and results. 
+   Searches for molecules based on the entered search terms.
+   The operation returns a transaction ID which can be used to access the 
status of the search and results.
    A security token is required to access this service.    
-   The result of this operation is a hash number which can be used to retrieve 
the actual results using 
+   The result of this operation is a hash number which can be used to retrieve 
the actual results using
       the GetAsyncSearchResult operation below.   
    [Example workflow][41]
 
@@ -220,97 +226,98 @@ WSDL: [http://www.chemspider.com/Search.
    A security token with the relevant role is required to access this service.
 
  - GetAsyncSearchResult   
-   Returns a list of identifiers found by the asynchronous search operation. 
+   Returns a list of identifiers found by the asynchronous search operation.
    A security token is required to access this service.   
    [Example workflow][42]
 
  - GetAsyncSearchStatus   
-   Queries the asynchronous operation status. 
+   Queries the asynchronous operation status.
    A security token is required to access this service.   
    [Example workflow][43]
 
  - GetCompoundInfo   
-   Returns the record details (CSID, InChIKey, InChI, SMILES) of a molecule by 
its ChemSpider identifier. 
+   Returns the record details (CSID, InChIKey, InChI, SMILES) of a molecule by 
its ChemSpider identifier.
    A security  token is required to access this service.   
    [Example workflow][44]
 
  - GetCompoundThumbnail   
-   Returns an image of a molecule&#8217;s 2D structure in PNG format. 
+   Returns an image of a molecule&#8217;s 2D structure in PNG format.
    A security token is required to access this service.   
    [Example workflow][45]
 
  - GetRecordDetails   
-   Returns a record details: CSID, InChIKey, InChI, SMILES. 
+   Returns a record details: CSID, InChIKey, InChI, SMILES.
    This operation is deprecated and will be removed soon &#8211; use 
GetCompoundInfo instead.   
    No example workflow due to deprecation of this operation.
 
  - GetRecordImage   
-   Returns an image of a molecule&#8217;s structure in PNG format. 
+   Returns an image of a molecule&#8217;s structure in PNG format.
    This operation is deprecated and will  be removed soon &#8211; use 
GetCompoundThumbnail instead.   
    No example workflow due to deprecation of this operation.
 
  - Mol2CSID   
-   Searches for structures matching a given MOL file within a given range. 
-   Returns a list of ChemSpider identifiers associated with matching 
structures. 
+   Searches for structures matching a given MOL file within a given range.
+   Returns a list of ChemSpider identifiers associated with matching 
structures.
    A security token with the &#8216;specific&#8217; role is required to access 
this service.   
    No example workflow due to specific role required for the operation.
 
  - MolAndDS2CSID   
-   Searches for structures matching a given MOL file within the range 
specified by search options and 
+   Searches for structures matching a given MOL file within the range 
specified by search options and
       within the specified list of datasources.  
-   Returns a list of ChemSpider identifiers. 
+   Returns a list of ChemSpider identifiers.
    A security token with the &#8216;specific&#8217; role is required to access 
this service.   
    No example workflow due to specific role required for the operation.
 
  - SimpleSearch   
-   Performs a search using a given set of terms. Returns a list of ChemSpider 
identifiers. 
+   Performs a search using a given set of terms. Returns a list of ChemSpider 
identifiers.
    A security token is required to access this service.   
    [Example workflow][46]
 
  - SimpleSearch2IdList   
-   Tries to find whatever is entered. 
-   Returns a list of ChemSpider IDs. 
+   Tries to find whatever is entered.
+   Returns a list of ChemSpider IDs.
    This operation is deprecated and will be removed soon &#8211; use 
SimpleSearch  instead.   
    No example workflow due to deprecation of this operation.
 
-###Synonyms###
+### Synonyms
 WSDL: [http://www.chemspider.com/Synonyms.asmx?WSDL][47]
 
  - GetStructureSynonyms   
    Returns synonym names for a given compound represented by its MOL file.   
    [Example workflow][48]
 
+-----
 <a name="chebi"></a>
-##ChEBI##
+## ChEBI
 
-Chemical Entities of Biological Interest ([ChEBI][49]) is a freely available 
database of molecular entities 
+Chemical Entities of Biological Interest ([ChEBI][49]) is a freely available 
database of molecular entities
    focused on &#8216;small&#8217; chemical compounds.  
 The term &#8216;molecular entity&#8217; refers to any constitutionally or 
isotopically distinct atom, molecule,
-   ion, ion pair, radical, radical  ion, complex or conformer, identifiable as 
a separately distinguishable 
-   entity. 
-ChEBI incorporates an ontological classification, whereby the relationships 
between molecular entities or 
+   ion, ion pair, radical, radical  ion, complex or conformer, identifiable as 
a separately distinguishable
+   entity.
+ChEBI incorporates an ontological classification, whereby the relationships 
between molecular entities or
    classes of entities and  their parents and/or children are specified.
 
 ChEBI provides the following Web service with 7 operations.
 WSDL: [http://www.ebi.ac.uk/webservices/chebi/2.0/webservice?wsdl][50]   
-<img src="/img/biocatalogue-smallcog.png" alt="BioCatalogue icon" width="16" 
height="16" /> 
+<img src="/img/biocatalogue-smallcog.png" alt="BioCatalogue icon" width="16" 
height="16" />
 In BioCatalogue: [http://www.biocatalogue.org/services/2174][51]
 
  - getLiteEntity   
-   Retrieves a list of &#8220;lite&#8221; entities containing only the ChEBI 
ASCII name and ChEBI identifier. 
-   The input parameters are a search string and a  search category. 
-   If the search category is null then it will search under all fields. 
-   The search string accepts the wildcard character &#8220;*&#8221; and also 
unicode characters. 
+   Retrieves a list of &#8220;lite&#8221; entities containing only the ChEBI 
ASCII name and ChEBI identifier.
+   The input parameters are a search string and a  search category.
+   If the search category is null then it will search under all fields.
+   The search string accepts the wildcard character &#8220;*&#8221; and also 
unicode characters.
    A maximum 5000  entries can be retrieved at a time.   
    [Example workflow][52]
 
  - getCompleteEntity   
-   Retrieves the complete record of a molecule including synonyms, database 
links and  chemical structures, 
+   Retrieves the complete record of a molecule including synonyms, database 
links and  chemical structures,
       using the ChEBI identifier.   
    [Example workflow][53]
 
  - getCompleteEntityByList   
-   Given a list of ChEBI accession numbers, 
+   Given a list of ChEBI accession numbers,
       retrieves the complete entity record associated with each accession 
number.  
    The maximum size of a given list is 50.   
    [Example workflow][54]
@@ -331,41 +338,42 @@ In BioCatalogue: [http://www.biocatalogu
    Does a substructure, similarity or identity search using a query structure. 
  
    [Example workflow][57]
 
+-----
 <a name="pubchem"></a>
-##PubChem##
+## PubChem
 
-[PubChem][58] is a free database of chemical structures of small organic 
molecules and information on 
-   their biological activities provided by the National Center for 
Biotechnology Information ([NCBI][59]), 
+[PubChem][58] is a free database of chemical structures of small organic 
molecules and information on
+   their biological activities provided by the National Center for 
Biotechnology Information ([NCBI][59]),
    part of the United States National Institutes of Health ([NIH][60]).
 
 PubChem provides the following Web service with 28 operations.
 WSDL: [http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl][61]
-<img src="/img/biocatalogue-smallcog.png" alt="BioCatalogue icon" width="16" 
height="16" /> 
+<img src="/img/biocatalogue-smallcog.png" alt="BioCatalogue icon" width="16" 
height="16" />
 In BioCatalogue: [http://www.biocatalogue.org/services/2176][62]
 
  - AssayDownload   
-   Given an assay key, prepares a file for download which contains an assay 
data table in the selected format. 
-   See the assay query section of the PUG service documentation 
-     ([http://pubchem.ncbi.nlm.nih.gov/pug/pughelp.html][63]) for more details 
on the supported formats. 
+   Given an assay key, prepares a file for download which contains an assay 
data table in the selected format.
+   See the assay query section of the PUG service documentation
+     ([http://pubchem.ncbi.nlm.nih.gov/pug/pughelp.html][63]) for more details 
on the supported formats.
    Compression is optional and  defaults to gzip (.gz). Returns a download 
key. Asynchronous.
 
  - Download   
-   Given a list key, prepares a file for downloading which contains those 
records in the selected format. 
-   See the web download service documentation 
-      ([http://pubchem.ncbi.nlm.nih.gov/pc_fetch/pc_fetch-help.html][64]) 
-      for more detail on the supported formats and file types. 
+   Given a list key, prepares a file for downloading which contains those 
records in the selected format.
+   See the web download service documentation
+      ([http://pubchem.ncbi.nlm.nih.gov/pc_fetch/pc_fetch-help.html][64])
+      for more detail on the supported formats and file types.
    Returns a download key. Asynchronous.   
    [Example workflow][65]
 
  - GetAssayColumnDescription   
-   Returns the description of a column (readout) in a BioAssay, which may be 
the  outcome, score, 
+   Returns the description of a column (readout) in a BioAssay, which may be 
the  outcome, score,
       or a TID from the given AID. Synchronous.
 
  - GetAssayColumnDescriptions   
    Returns the description of all columns (readouts) in a BioAssay. 
Synchronous.
 
  - GetAssayDescription   
-   Returns the descriptive information for a BioAssay, including the number of 
 user-specified readouts (TIDs) 
+   Returns the descriptive information for a BioAssay, including the number of 
 user-specified readouts (TIDs)
       and whether a score readout is present.  
    Optionally get version information. Synchronous.
 
@@ -373,12 +381,12 @@ In BioCatalogue: [http://www.biocatalogu
    Given a download key, returns an FTP URL that may be used to download the 
requested file. Synchronous.
 
  - GetEntrezKey   
-   Given a list key, returns an Entrez history key (db, query key, and  
WebEnv) corresponding to that list. 
+   Given a list key, returns an Entrez history key (db, query key, and  
WebEnv) corresponding to that list.
    Synchronous.   
    [Example workflow][66]
 
  - GetEntrezUrl   
-   Given an Entrez history key (db, query key, and WebEnv), returns an HTTP 
URL that may be used to view the 
+   Given an Entrez history key (db, query key, and WebEnv), returns an HTTP 
URL that may be used to view the
       list in Entrez. Synchronous.
    [Example workflow][67]
 
@@ -390,102 +398,102 @@ In BioCatalogue: [http://www.biocatalogu
    Returns the number of IDs in the set represented by a given list key. 
Synchronous.
 
  - GetOperationStatus   
-   Given a key for any asynchronous operation, returns the status of that 
operation. 
-   Possible return values are: Success, the operation completed normally; 
HitLimit, TimeLimit: the operation 
-     finished normally, but one  of the limits was reached (e.g. before the 
entire database was  searched); 
-     ServerError, InputError, DataError, Stopped: there was a  problem with 
the input or on the server, 
-     and the job has died; Queued:  the operation is waiting its turn in the 
public queue; Running: 
+   Given a key for any asynchronous operation, returns the status of that 
operation.
+   Possible return values are: Success, the operation completed normally; 
HitLimit, TimeLimit: the operation
+     finished normally, but one  of the limits was reached (e.g. before the 
entire database was  searched);
+     ServerError, InputError, DataError, Stopped: there was a  problem with 
the input or on the server,
+     and the job has died; Queued:  the operation is waiting its turn in the 
public queue; Running:
      the operation is in progress. Synchronous.   
    [Example workflow][69]
 
  - GetStandardizedCID   
-   Given a structure key that has been processed by Standardize, returns the 
corresponding PubChem Compound 
+   Given a structure key that has been processed by Standardize, returns the 
corresponding PubChem Compound
       database CID, or an empty value if the  structure is not present in 
PubChem. Synchronous.
 
  - GetStandardizedStructure   
-   Given a structure key that has been processed by Standardize, returns the 
chemical structure in as SMILES 
+   Given a structure key that has been processed by Standardize, returns the 
chemical structure in as SMILES
      or InChI strings. Synchronous.
 
  - GetStandardizedStructureBase64   
-   Given a structure key that has been processed by Standardize, returns the  
chemical structure as ASN, XML, 
+   Given a structure key that has been processed by Standardize, returns the  
chemical structure as ASN, XML,
       or SDF, returned as a Base64-encoded  string. Synchronous.
 
  - GetStatusMessage   
-   Given a key for any asynchronous operation, returns any system messages 
(error messages, job info, etc.) 
+   Given a key for any asynchronous operation, returns any system messages 
(error messages, job info, etc.)
       associated with the operation, if any. Synchronous.
 
  - IdentitySearch   
-   Searches PubChem Compound for structures identical to the one given by the 
structure key input based on 
-      a user-selected level of chemical identity: connectivity only, match 
isotopes and/or stereo, etc. 
-   The search may be limited by elapsed time or number of records found, or 
restricted to search only within 
-      a previous result set (given by a list  key). 
+   Searches PubChem Compound for structures identical to the one given by the 
structure key input based on
+      a user-selected level of chemical identity: connectivity only, match 
isotopes and/or stereo, etc.
+   The search may be limited by elapsed time or number of records found, or 
restricted to search only within
+      a previous result set (given by a list  key).
    Returns a list key. Asynchronous.   
    [Example workflow][70]
 
  - InputAssay   
-   Specifies an assay table from a BioAssay AID. 
-   The table may be complete, concise, or include a ListKey-specified set of 
readouts (TIDs). 
-   By default, all tested substances are included, but can be restricted to a 
ListKey-specified set of SIDs 
+   Specifies an assay table from a BioAssay AID.
+   The table may be complete, concise, or include a ListKey-specified set of 
readouts (TIDs).
+   By default, all tested substances are included, but can be restricted to a 
ListKey-specified set of SIDs
       or CIDs. Returns an assay key. Synchronous.
 
  - InputEntrez   
-   Configures an Entrez history key (db, query key, and WebEnv). 
+   Configures an Entrez history key (db, query key, and WebEnv).
    Returns a list key. Synchronous.
 
  - InputList   
-   Configures a set of identifiers for a PubChem database, as an array of  
integers. 
+   Configures a set of identifiers for a PubChem database, as an array of  
integers.
    Returns a list key. Synchronous.
 
  - InputListText   
-   Configures a set of identifiers for a PubChem database, as a simple string 
of integer values separated 
+   Configures a set of identifiers for a PubChem database, as a simple string 
of integer values separated
       by commas and/or whitespace. Returns a list key. Synchronous.
 
  - InputStructure
-   Configures a chemical structure as a simple (one-line) string, either 
SMILES or InChI. 
+   Configures a chemical structure as a simple (one-line) string, either 
SMILES or InChI.
    Returns a structure key. Synchronous.   
    [Example workflow][71]
 
  - InputStructureBase64   
-   Configures a chemical structure in ASN.1 (text or binary), XML, or SDF  
format. 
-   The structure must be encoded as a Base64 string. 
-   Currently only single structures are supported. 
+   Configures a chemical structure in ASN.1 (text or binary), XML, or SDF  
format.
+   The structure must be encoded as a Base64 string.
+   Currently only single structures are supported.
    Returns a structure key. Synchronous.   
    [Example workflow][72]
 
  - MFSearch   
    Searches PubChem Compound for structures of a given molecular formula,  
-      optionally allowing elements not specified to be present. 
-   The search may  be limited by elapsed time or number of records found, or 
restricted to search only 
+      optionally allowing elements not specified to be present.
+   The search may  be limited by elapsed time or number of records found, or 
restricted to search only
       within a previous result set (given by a list key). Returns  a list key. 
Asynchronous.
 
  - ScoreMatrix   
-   Computes a matrix of scores from one or two lists of IDs (if one, the IDs  
will be self-scored), 
+   Computes a matrix of scores from one or two lists of IDs (if one, the IDs  
will be self-scored),
      of the selected type and in the selected format.  
    Compression is optional and defaults to gzip (.gz). Returns a download key. 
Asynchronous.
 
  - SimilaritySearch2D   
-   Searches PubChem Compound for structures similar to the one given by the 
structure key input, 
+   Searches PubChem Compound for structures similar to the one given by the 
structure key input,
       based on the given Tanimoto-based similarity score.  
    The search may be limited by elapsed time or number of records found,  
-     or restricted to search only within a previous result set (given by a  
list key). 
+     or restricted to search only within a previous result set (given by a  
list key).
    Returns a list key. Asynchronous.   
    [Example workflow][73]
 
  - Standardize   
-   Standardizes the structure given by the structure key input, 
-      using the same algorithm PubChem uses to construct the Compound 
database. 
+   Standardizes the structure given by the structure key input,
+      using the same algorithm PubChem uses to construct the Compound database.
    Returns a structure key. Asynchronous.
 
  - SubstructureSearch   
-   Searches PubChem Compound for structures containing the one given by the 
structure key input, 
-      based on a user-selected level of chemical identity: connectivity only, 
match isotopes and/or stereo, etc. 
-   The search may be limited by elapsed time or number of records found, 
-      or restricted to search only within a previous result set (given by a 
list key). 
+   Searches PubChem Compound for structures containing the one given by the 
structure key input,
+      based on a user-selected level of chemical identity: connectivity only, 
match isotopes and/or stereo, etc.
+   The search may be limited by elapsed time or number of records found,
+      or restricted to search only within a previous result set (given by a 
list key).
    Returns a list key. Asynchronous.   
    [Example workflow][74]
 
  - SuperstructureSearch   
-   Searches PubChem Compound for structures contained within the one given by 
the structure key input, 
+   Searches PubChem Compound for structures contained within the one given by 
the structure key input,
       based on a user-selected level of chemical identity: connectivity only, 
match isotopes and/or stereo, etc. The  search may be limited by elapsed time 
or number of records found, or  restricted to search only within a previous 
result set (given by a list  key). Returns a list key. Asynchronous.</li>
 
 
@@ -563,4 +571,4 @@ In BioCatalogue: [http://www.biocatalogu
   [71]: http://www.myexperiment.org/workflows/1433
   [72]: http://www.myexperiment.org/workflows/1431
   [73]: http://www.myexperiment.org/workflows/1431
-  [74]: http://www.myexperiment.org/workflows/1434
\ No newline at end of file
+  [74]: http://www.myexperiment.org/workflows/1434


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