WEBVTT 1 00:00:00.800 --> 00:00:04.690 Welcome to the Integrated Chemicals environment, also known as ICE. 2 00:00:04.720 --> 00:00:05.650 In this video, 3 00:00:05.680 --> 00:00:09.420 we will go over how to build a query in the ICE Curve Surfer tool. 4 00:00:09.450 --> 00:00:11.700 This tool lets you view and interact 5 00:00:11.730 --> 00:00:15.620 with concentration-response curves from in vitro high-throughput screening 6 00:00:15.650 --> 00:00:18.820 data in ICE that have been curated by NICEATM. 7 00:00:18.850 --> 00:00:22.880 These are referred to as "cHTS data". 8 00:00:23.160 --> 00:00:25.300 To run a curve surfer query, 9 00:00:25.330 --> 00:00:31.460 you must specify at least one assay or chemical or combination of both. 10 00:00:31.490 --> 00:00:33.340 Select chemicals for your query 11 00:00:33.370 --> 00:00:39.140 in the "Chemical Input" field on the left. You can choose an ICE Chemical Quick List 12 00:00:39.170 --> 00:00:41.860 by clicking on the "Select Chemicals" button. 13 00:00:41.890 --> 00:00:49.040 For this example, we will choose the ER In Vitro Agonist chemical Quick List. 14 00:00:49.480 --> 00:00:54.820 You can also enter Chemical Identifiers in the User Chemical Identifier box. 15 00:00:54.850 --> 00:01:00.220 You can do this by typing in one or more individual chemical Identifiers. 16 00:01:00.250 --> 00:01:10.700 For this example, we can type in "50-28-2" the CASRN for the chemical estradiol. 17 00:01:10.730 --> 00:01:14.210 You can also paste in a list of chemical identifiers. 18 00:01:14.240 --> 00:01:16.260 You can use any combination of these 19 00:01:16.290 --> 00:01:23.020 identifiers: CASRNs, DTXSIDs, SMILEs and InChiKeys. 20 00:01:23.050 --> 00:01:25.100 An example of these identifiers is 21 00:01:25.130 --> 00:01:30.570 provided in the information box located in the chemical input field. 22 00:01:30.600 --> 00:01:34.260 ICE has cHTS data for thousands of chemicals. 23 00:01:34.290 --> 00:01:39.380 Only chemicals with cHTS data return results for the curves are for query. 24 00:01:39.410 --> 00:01:44.210 Chemicals without cHTS data in ICE will simply be omitted from the output; 25 00:01:44.240 --> 00:01:49.060 no error message or list of chemicals with missing data will be returned. 26 00:01:49.090 --> 00:01:51.100 ICE allows you to run a Curve Surfer 27 00:01:51.130 --> 00:01:55.020 query without specifying chemicals, but we advised against doing this. 28 00:01:55.050 --> 00:01:57.420 If you don't add chemicals to your query, 29 00:01:57.450 --> 00:02:01.760 the query will return results for all chemicals with data for your selected 30 00:02:01.790 --> 00:02:06.930 assays, which will result in a very large output. 31 00:02:06.960 --> 00:02:09.660 Add in vitro assay data to your query 32 00:02:09.690 --> 00:02:14.260 by using the "Data Input" field to the right of the "Chemical Input" field. 33 00:02:14.290 --> 00:02:19.300 To select cHTS assays, click the "Select Assays" button. 34 00:02:19.330 --> 00:02:26.260 A dialog box will open, showing two tabs: "cHTS" and "Mode of Action." 35 00:02:26.290 --> 00:02:29.610 Click on the "cHTS" tab to view curated 36 00:02:29.640 --> 00:02:35.140 in vitro high-throughput screening assays from ToxCast and Tox21 organized 37 00:02:35.170 --> 00:02:39.820 into mechanistic target categories that have been annotated to help clarify 38 00:02:39.850 --> 00:02:43.940 the biological interpretation of assay readouts. 39 00:02:43.970 --> 00:02:48.440 Click on the "Mode of Action" tab to view curated in vitro high-throughput 40 00:02:48.470 --> 00:02:53.420 screening assays from ToxCast and Tox21 organized by mode of action. 41 00:02:53.450 --> 00:02:58.680 The mode of action categories group assays to inform on pathways and functions known 42 00:02:58.710 --> 00:03:04.580 to potentially contribute to toxicological endpoints of regulatory relevance. 43 00:03:04.610 --> 00:03:08.500 Use the check boxes to select the assay annotation terms of interest 44 00:03:08.530 --> 00:03:12.260 under either tab. Only assays with cHTS 45 00:03:12.290 --> 00:03:15.700 data in ICE will be shown as options for selection. 46 00:03:15.730 --> 00:03:19.360 For this example, under the "cHTS" tab, we 47 00:03:19.390 --> 00:03:25.160 will choose the assays annotated to "Endocrine-related Processes." 48 00:03:25.240 --> 00:03:28.700 When you are finished selecting assays, click on "Finished." 49 00:03:28.730 --> 00:03:30.760 The assay annotation terms you have 50 00:03:30.790 --> 00:03:34.340 selected will be displayed in the text box. 51 00:03:34.370 --> 00:03:39.260 ICE will allow you to run a Curve Surfer query without specifying assays. 52 00:03:39.290 --> 00:03:42.610 However, such query will return all cHTS 53 00:03:42.640 --> 00:03:48.860 data for the specified chemicals in the query, resulting in a very large output. 54 00:03:48.890 --> 00:03:51.980 Click on "Run" to execute your query. 55 00:03:52.010 --> 00:03:56.940 Users can navigate back to the search input page and modify selections. 56 00:03:56.970 --> 00:03:59.780 The session will remember the selections made. 57 00:03:59.810 --> 00:04:04.300 To reset query parameters, select "Reset." 58 00:04:04.330 --> 00:04:08.660 See the results video for a guide to view and query results. 59 00:04:08.690 --> 00:04:13.900 Thank you for watching our video on how to build a Curve Surfer query in ICE. 60 00:04:13.920 --> 00:04:15.640 For more detailed information about 61 00:04:15.670 --> 00:04:19.080 the Curb Surfer tool, go to "Help" and select "User Guides."