Drug structure similarity search

Draw compound structure
Input the SMILES string of your structure ( SMILES example )
BATCH Upload of Multiple Structures for Similarty Search is Available HERE
Drug Structure Similarity Search
Drug structure similarity searching is based on the Tanimoto similarity searching method. An input compound structure in MOL or SDF or SMILES format is converted into a vector composed of molecular descriptors by using our MODEL software. Molecular descriptors are quantitative representations of structural and physicochemical features of molecules, which have been extensively used in deriving structure-activity relationships, quantitative structure-activity relationships and virtual screening tools for drug discovery.
Input your drug (oligo nucleotide / amnio acid) sequence ( sequence example )
Drug (oligo nucleotide / amnio acid) sequence Similarity Search
Besides traditional keywords search, we also supply drug sequence similarity query for searching similar sequences against all drugs with available sequence information. The similarity degree of those identified drugs will be evaluated by BLAST (blastn or blastp) program, and then be displayed onto your web browser. Identified drugs are listed out in the order of their E-value (from the smallest to the largest). Links to the detail information of identified drugs are also provided.

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