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Showing metabocard for Rufinamide (HMDB0257362)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 18:17:49 UTC
Update Date2021-09-26 23:13:40 UTC
HMDB IDHMDB0257362
Secondary Accession NumbersNone
Metabolite Identification
Common NameRufinamide
DescriptionRufinamide, also known as banzel, belongs to the class of organic compounds known as 2-heteroaryl carboxamides. 2-heteroaryl carboxamides are compounds containing a heteroaromatic ring that carries a carboxamide group. Based on a literature review a significant number of articles have been published on Rufinamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Rufinamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Rufinamide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0257362 (Rufinamide)

  Mrv0541 02231218152D          

 17 18  0  0  0  0            999 V2000
    4.5079   -0.4567    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4567    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552    0.2184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.7808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797    1.6013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6867    1.7728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4046    1.6395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5471    0.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0992    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9197    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
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3D MOL for HMDB0257362 (Rufinamide)

HMDB0257362
     RDKit          3D
Rufinamide
 25 26  0  0  0  0  0  0  0  0999 V2000
    4.2130    1.3008   -0.8358 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304    1.2080    0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101    1.7741    1.4276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6306    0.4388    0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7982   -0.2266   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8309   -0.7867    0.7029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2699   -1.5852    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4679   -0.8064   -0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5797   -0.0447   -1.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589    0.0032   -2.1349 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7325    0.6880   -1.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882    0.6419   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6924   -0.1285    0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -0.8457    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418   -1.6039    1.8695 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -0.5042    1.9747 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082    0.2352    2.0490 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2094    1.1872   -1.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826    1.4808   -1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076   -0.2894   -1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0763   -2.1061   -0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5126   -2.3756    0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7832    1.2891   -2.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7136    1.2002   -0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5364   -0.1442    1.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17  4  1  0
 14  8  1  0
  1 18  1  0
  1 19  1  0
  5 20  1  0
  7 21  1  0
  7 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END
Download

3D SDF for HMDB0257362 (Rufinamide)

  Mrv0541 02231218152D          

 17 18  0  0  0  0            999 V2000
    4.5079   -0.4567    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4567    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552    0.2184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.7808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797    1.6013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6867    1.7728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4046    1.6395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5471    0.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0992    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9197    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257362

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)

> <INCHI_KEY>
POGQSBRIGCQNEG-UHFFFAOYSA-N

> <FORMULA>
C10H8F2N4O

> <MOLECULAR_WEIGHT>
238.1935

> <EXACT_MASS>
238.066617308

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
20.418634325132025

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

> <ALOGPS_LOGP>
0.95

> <JCHEM_LOGP>
1.2665976423333336

> <ALOGPS_LOGS>
-2.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.688371337952763

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0802465135311228

> <JCHEM_POLAR_SURFACE_AREA>
73.8

> <JCHEM_REFRACTIVITY>
67.0702

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.42e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
rufinamide

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0257362 (Rufinamide)

HMDB0257362
     RDKit          3D
Rufinamide
 25 26  0  0  0  0  0  0  0  0999 V2000
    4.2130    1.3008   -0.8358 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304    1.2080    0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101    1.7741    1.4276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6306    0.4388    0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7982   -0.2266   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8309   -0.7867    0.7029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2699   -1.5852    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4679   -0.8064   -0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5797   -0.0447   -1.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589    0.0032   -2.1349 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7325    0.6880   -1.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882    0.6419   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6924   -0.1285    0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -0.8457    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418   -1.6039    1.8695 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -0.5042    1.9747 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082    0.2352    2.0490 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2094    1.1872   -1.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826    1.4808   -1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076   -0.2894   -1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0763   -2.1061   -0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5126   -2.3756    0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7832    1.2891   -2.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7136    1.2002   -0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5364   -0.1442    1.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17  4  1  0
 14  8  1  0
  1 18  1  0
  1 19  1  0
  5 20  1  0
  7 21  1  0
  7 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END
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PDB for HMDB0257362 (Rufinamide)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  F   UNK     0       8.415  -0.853   0.000  0.00  0.00           F+0
HETATM    2  F   UNK     0       3.080  -0.853   0.000  0.00  0.00           F+0
HETATM    3  O   UNK     0      11.676   0.408   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       7.081   1.457   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       7.242   2.989   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0       8.749   3.309   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      11.955   3.060   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       5.747   0.687   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.747  -0.853   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.488   0.831   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.081  -1.623   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.414  -1.623   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.519   1.975   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.081  -3.163   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.414  -3.163   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.747  -3.933   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.050   1.814   0.000  0.00  0.00           C+0
CONECT    1   11                                                            
CONECT    2   12                                                            
CONECT    3   17                                                            
CONECT    4    5    8   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5   13                                                       
CONECT    7   17                                                            
CONECT    8    4    9                                                       
CONECT    9    8   11   12                                                  
CONECT   10    4   13                                                       
CONECT   11    1    9   14                                                  
CONECT   12    2    9   15                                                  
CONECT   13    6   10   17                                                  
CONECT   14   11   16                                                       
CONECT   15   12   16                                                       
CONECT   16   14   15                                                       
CONECT   17    3    7   13                                                  
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END
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3D PDB for HMDB0257362 (Rufinamide)

COMPND    HMDB0257362
HETATM    1  N1  UNL     1       4.213   1.301  -0.836  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.830   1.208   0.524  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.510   1.774   1.428  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.631   0.439   0.835  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.798  -0.227  -0.037  1.00  0.00           C  
HETATM    6  N2  UNL     1       0.831  -0.787   0.703  1.00  0.00           N  
HETATM    7  C4  UNL     1      -0.270  -1.585   0.188  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.468  -0.806  -0.144  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.580  -0.045  -1.271  1.00  0.00           C  
HETATM   10  F1  UNL     1      -0.559   0.003  -2.135  1.00  0.00           F  
HETATM   11  C7  UNL     1      -2.732   0.688  -1.556  1.00  0.00           C  
HETATM   12  C8  UNL     1      -3.788   0.642  -0.676  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.692  -0.129   0.477  1.00  0.00           C  
HETATM   14  C10 UNL     1      -2.542  -0.846   0.739  1.00  0.00           C  
HETATM   15  F2  UNL     1      -2.442  -1.604   1.869  1.00  0.00           F  
HETATM   16  N3  UNL     1       1.021  -0.504   1.975  1.00  0.00           N  
HETATM   17  N4  UNL     1       2.108   0.235   2.049  1.00  0.00           N  
HETATM   18  H1  UNL     1       5.209   1.187  -1.090  1.00  0.00           H  
HETATM   19  H2  UNL     1       3.483   1.481  -1.547  1.00  0.00           H  
HETATM   20  H3  UNL     1       1.908  -0.289  -1.135  1.00  0.00           H  
HETATM   21  H4  UNL     1       0.076  -2.106  -0.744  1.00  0.00           H  
HETATM   22  H5  UNL     1      -0.513  -2.376   0.928  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.783   1.289  -2.474  1.00  0.00           H  
HETATM   24  H7  UNL     1      -4.714   1.200  -0.857  1.00  0.00           H  
HETATM   25  H8  UNL     1      -4.536  -0.144   1.148  1.00  0.00           H  
CONECT    1    2   18   19
CONECT    2    3    3    4
CONECT    4    5    5   17
CONECT    5    6   20
CONECT    6    7   16
CONECT    7    8   21   22
CONECT    8    9    9   14
CONECT    9   10   11
CONECT   11   12   12   23
CONECT   12   13   24
CONECT   13   14   14   25
CONECT   14   15
CONECT   16   17   17
END
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SMILES for HMDB0257362 (Rufinamide)

NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1
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INCHI for HMDB0257362 (Rufinamide)

InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)
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Synonyms
ValueSource
BanzelKegg
1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamideMeSH
InovelonMeSH
Chemical FormulaC10H8F2N4O
Average Molecular Weight238.1935
Monoisotopic Molecular Weight238.066617308
IUPAC Name1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Traditional Namerufinamide
CAS Registry NumberNot Available
SMILES
NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1
InChI Identifier
InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)
InChI KeyPOGQSBRIGCQNEG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2-heteroaryl carboxamides. 2-Heteroaryl carboxamides are compounds containing a heteroaromatic ring that carries a carboxamide group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct Parent2-heteroaryl carboxamides
Alternative Parents
Substituents
  • 2-heteroaryl carboxamide
  • Fluorobenzene
  • Halobenzene
  • Aryl fluoride
  • Aryl halide
  • Monocyclic benzene moiety
  • Benzenoid
  • Azole
  • 1,2,3-triazole
  • Heteroaromatic compound
  • Vinylogous amide
  • Primary carboxylic acid amide
  • Organoheterocyclic compound
  • Azacycle
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organofluoride
  • Organohalogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB06201
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID114471
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkRufinamide
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]