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Field Definitions: Primary screen data
2009.12.29
Contact anang.shelat@stjude.org if you have any questions
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The SDFs contain primary screen data from the following assays: MAR3D7_01 (green fluorescence intensity) and
MAR3D7_02 (red fluoresence intensity).  See the Nature paper for details about the assay.

NOTE: Robust, outlier resistant statistics were calculated for this analysis.  
  - Mean was calculated as the 25% trimmed mean
  - Standard deviation (sd) was calculated as the interquartile range divided by 1.349
  - Upper and lower outlier thredholds were calculated as the upper and lower quartile +/- (1.5 * the interquartile range), respectively.
See Hoaglin, David C., Mosteller, Frederick, Tukey, John W. "Understanding Robust and Exploratory Data Analysis" John Wiley and Sons, Inc.
  1983 New York, New York

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molecule: molecular structure field

currplateid: assay plate barcode

well: well id

welltype: either BLANK, REFWELL (mefloquine in dose-response, 10uM final top concentration, 1:3 dilutions), POSCTRL (mefloquine at 10uM final
  concentration), NEGCTRL (DMSO), or VARCMPD (screening compound at 7uM final concentration).  Only VARCMPD records have molecular structures.

locindex: integer from 0-383 corresponding to well location (A01 -> 0, A24 -> 23, P24 -> 383)

endpoint: fluorescence intensity (the quantity measured in the assay)

sample: SJNUMBER, our internal unique compound identifier

conc: stock concentration in mM

well_rawact: % activity with respect to POSCTRL and NEGCTRL -> 100 * (endpoint - NEGCTRL_mean)/(POSCTRL_mean - NEGCTRL_mean)

well_rawvar_z: VARCMPD Z-score -> (VARCMPD_mean - endpoint) / (VARCMPD_sd)

well_rawnout: TRUE/FALSE if compound was an outlier with respect to the NEGCTRL population on the plate

well_rawvout: TRUE/FALSE if compound was an outlier with respect to the VARCMPD population on the plate

well_rawhit: TRUE/FALSE if compound was classified as a hit according to the following criteria: well_rawact >= 90% AND well_rawnout = TRUE AND
  well_rawvout = TRUE

well_comment: user comments about the well

batch_comment: annotation information about the compound in our registration database

supplierid: the supplier ID from the vendor

salt_name: name of any salt(s) present

salt_equivalents: number of salt equivalents

solvate_name: name of any solvate(s) present

solvate_equivalents: number of solvate equivalents

formula_weight: molecular weight of parent compound, salts, and solvates

source: origin of compound (e.g., vendor, in house synthesis, etc)

vendor_name: name of compound supplier

purity: percent purity

puritymethod: how purity was determined

molsmiles: molecular smiles