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Chemoinformatic Tool

Desgined for HBM621E-Chemoinformatics at Istanbul TEchnical University

"sdf.py" for multi-sdf file parser. Functions are 'atom_num', 'source_name', 'mol_weight'

"degreenode_morgan_ring.py" for determine the degree of nodes and implementation of morgan finger print

"isomorphs.py" for implement to find all Isomorphs for given molecule

"similarity.py" for structure similarity check

"gen_alg.py" for genetic algorithm

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Lecture python code

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