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    Natural Product Name:  
    e.g., NPC242580, Vitamin E, Caffeic Acid
    Range of alogP:   to
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    BATCH SEARCH



    Acetaldehyde CHEMBL1230762 Oc1cc(O)cc(CCc2ccccc2)c1
    Enter a list of compound names, IDs or SMILES separated by new lines (<=100 lines).
    Try the example list. Click here!
  • DRAW COMPOUND STRUCTURE

    *Fingerprint Type:  
    **Threshold:  

    INPUT SMILES

    Input Compound SMILES:


    Try example: Oc1cc(O)cc(CCc2ccccc2)c1
    *Fingerprint Type:  
    **Threshold:  

    * Different algorithms to generate fingerprints of chemical structure

    ** Similarity score (tanimoto coefficient used here) generated by comparing fingerprints of two molecules. '1' indicates the highest similarity level

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    Organism Common/Latin Name:  e.g., Aronia melanocarpa, Prunus armeniaca
    Organism ID:  Taxonomy ID, NPASS Organism ID. E.g., NPO7269, NPO4795
  • SEARCH BY TARGET

    Target Name/ID:  For example: Plasmodium falciparum, MDA-MB-231, NPT1666, Q9NR56 etc.

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  • Prof. Chen Yu Zong [phacyz@nus.edu.sg]
  • A/Prof. Zeng Xian [zengxian@fudan.edu.cn]