SimilACTrail_v1

SimilACTrail_v1 is a Python package for visualizing the Structure-Similarity Activity Trailing map.

SimilACTrail_v1 stands for Structure-SIMILArity ACTivity TRAILing Map.

It also identifies Activity Cliffs (AC) in the dataset.

It is a -based Web Application.

Just upload a CSV file with alteast three columns - (i) Molecule ID, (ii) SMILES and (iii) Activity column (e.g., pIC50) to explore SimilACTrail Map!

References:

1. J Chem Inf Model. 2008;48(3):646-58. DOI: 10.1021/ci7004093
2. J Med Chem. 2014;57(8):3186-204. DOI: 10.1021/jm401411z
3. J Chem Inf Model. 2017;57(3):397-402. DOI: 10.1021/acs.jcim.6b00776