Aigul Khakimova
Senior Data Scientist
Saint Petersburg, Saint Petersburg, Russia
Summary
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Senior🎓
Top SchoolAigul Khakimova is a Senior Data Scientist based in Saint Petersburg with eight years of focused experience applying chemoinformatics and machine learning to drug design. At BIOCAD she progressed from junior to senior roles developing computational platforms, QSAR/QSPR models, chemical data curation pipelines, and code review practices that bridge research and production. Her background in organic chemistry and hands-on work with retrosynthesis, metadynamics, and quantum-chemical features gives her a rare ability to translate deep domain knowledge into predictive models for small-molecule properties and reaction outcomes. She is experienced with reproducible ML tooling (Docker, Git, DVC) and has contributed to method development such as hydroxylation site prediction and novel pharmacophore validation. Colleagues rely on her for both rigorous data-driven modeling and mentoring of developers and students. Less obvious: she combines academia-rooted research instincts with practical platform-building, making her equally effective in exploratory science and production-ready pipelines.
7 years of coding experience
3 years of employment as a software developer
Specialist degree, Organic Chemistry, Specialist degree, Organic Chemistry at Kazan Federal University, A.M. Butlerov Institute of Chemistry
English, Russian, Tatar
Github Skills (28)
rdkit10
cheminformatics10
python9
plugin8
decomposition7
minecraft7
pubchem6
factorization6
kernel-methods6
sprint4
testing4
tree-search4
mongodb4
poppler3
local-database3
Programming languages (5)
Github contributions (5)
aigulkhkmv/rtr
Oct 2018 - Nov 2019
Contributions:2 PRs, 32 pushes, 4 branches in 1 year 1 month
aigulkhkmv/algorithms-on-graphs-coursera
Jun 2020 - Mar 2022
Contributions:6 PRs, 8 pushes, 7 branches in 1 year 9 months
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