LIGAND database is the
source of the most part of biochemical compounds. Generic compounds (i.e.
those whose formula end with an -R) were not considered as were not considered
either those compounds with neither FORMULA nor DBLINKS fields.
UM-BBD database entries were
cross-checked against LIGAND entries. UM-BBD entries were added as entries
or synonyms.
NIST chemical webbook
was the source of the information about isomers.
An alphabetical list of all the compound names and some statistics can
be found here.
Query: here is where the query string (a compound name or a part of it) must be typed or pasted. Neither boolean operators nor wildcards (*) allowed.
Results containing the string/s: in these fields the user can write three different strings (one string into each field) to refine the seach for similar compound names. SNOW will only search among those database entries containing AT LEAST one of the strings. Neither boolean operators nor wildcards (*) allowed. Actually, the three fields are processed in an OR basis.
Results not containing the string/s: in these fields the user can write three different strings (one string into each field) to refine the seach for similar compound names. SNOW will only search among those database entries not containing ANY of the strings. Neither boolean operators nor wildcards (*) allowed. Actually, the three fields are processed in an AND NOT basis.
Stringency of the search: the stringency in SNOW is a measure for the gap penalty (see below) and will affect only to the process of finding similar results. HIGH stringency means that a higher gap penalty will be applied when building the alignment of strings and results will be concentrated into a narrower fork of higher scores. A LOW stringency will allow for worse alignments to be displayed (i.e. the score fork will be broader).
Number of results: max number of results displayed (only for similarities, not for exact matches).
Similarity cutoff: similar (not exact) matches are scored and
ranked into three cathegories (HIGH similarity, MEDIUM similarity and LOW
similarity) according to their similarity to the user's query. The user
can choose which rank/s to be displayed. The number of displayed results
will be, however, limited by the number of results chosen be the user (this
means that, even if the user checks the HIGH and MEDIUM similarities
button, the user may will be shown only HIGH similarity matches if there
are more than HIGH similarity matches than the max number of results chosen).
Search for exact matches: if an exact match for the query is found in the database, the recommended name and all its trivial names are displayed.
Search for similar matches: SNOW will also search the database for matches similar to the query string. The process applies a Smith-Waterman algorithm for aligning compounds names as strings. If the user submits strings in order to refine the search results, boolean operators are applied as explained above. Exact matches are excluded from additional searches.
General information: information on the user's choices, date and database used.
Exact matches: each match is displayed together with its CAS
number (whenever possible) and a comment on recommended names or trivial
names. A link to a database containing more detailed information on the
compound is displayed.
Similar matches: each match is displayed together with its CAS
number (whenever possible) and matches can automatically be re-submitted.