I want to know chemical properties such as repellent tendency.
You may try these:
https://www.chemspider.com/ACDLabs.aspx
https://www.cambridgemedchemconsulting.com/resources/physiochem/
Bioinformatics does not deal with prediction of chemical properties.
Absolutely YES , here some literature:
https://www.mdpi.com/1422-0067/10/5/1978
Article QSPR modeling of hyperpolarizabilities
One very efficient suite of system to perform this task is CODESSA:
https://www.compudrug.com/codessa_pro
but this task has a long long story starting from seminal Hansch studies (extrathermodynamic approach):
Article QSAR without borders
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