Skip to content

Latest commit

 

History

History
13 lines (7 loc) · 448 Bytes

File metadata and controls

13 lines (7 loc) · 448 Bytes

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