Definition of InChIKey. Meaning of InChIKey. Synonyms of InChIKey

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Definition of InChIKey

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Meaning of InChIKey from wikipedia

- the InChI string. The standard InChIKey is then the hashed version of the standard InChI string. The standard InChI will simplify comparison of InChI strings...
- groups of chemicals based on Chemical Name CASRN, InChIKey, DSSTox Substance ID, DSSTox Compound ID, InChIKey Skeleton, MS-Ready Formula, Exact Formula, or...
- SD files (SDF) from chemical names, CAS Registry Numbers, SMILES, InChI, InChIKey, .... KNIME free software to mani****te data and do datamining, can...
- Isaac "Ikey" Solomon (c. 1787 – 1850) was a British criminal who acted as a receiver of stolen property. His well-publicised crimes, escape from arrest...
- California, San Diego noncovalent ****ociation of molecules in solution ChEMBL SMILES InChiKey targets "BindingDB". BindingMOAD Binding Mother of All Databases...
- Key: NMRPBPVERJPACX-UHFFFAOYSA-N (+): InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1 Key: InChIKey=NMRPBPVERJPACX-QMMMGPOBSA-N SMILES CCCCCC(CC)O...
- Dashboard (EPA) DTXSID1042077 InChI InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) Key: InChIKey=PUIYMUZLKQOUOZ-UHFFFAOYSA-N...
- number formula name CAS Number InChIKey PBDE-1 C12H9BrO 2-bromodiphenyl ether 36563-47-0 RRWFUWRLNIZICP-UHFFFAOYSA-N PBDE-2 C12H9BrO 3-bromodiphenyl ether...
- number formula name CAS Number InChIKey PCDD-1 C12H7ClO2 1-chlorodibenzo-p-dioxin 39227-53-7 VGGGRWRBGXENKI-UHFFFAOYSA-N PCDD-2 C12H7ClO2 2-chlorodibenzo-p-dioxin...
- 558521 CompTox Dashboard (EPA) DTXSID00339766 InChI InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5) InChIKey = ACTKAGSPIFDCMF-UHFFFAOYSA-N SMILES C1=COC(=N1)N...