Adam Hanzlík's repositories
drughunter-molecule-extractor
A miniproject focused on creating a script for repeated extraction of molecules and attached text information from pdf files published on https://drughunter.com/, primarily on the sets published on https://drughunter.com/molecules-of-the-month/ and https://drughunter.com/resource_category/approved-drug-reviews/ using OCSR.
Applications-for-Optical-Chemical-Structure-Recognition
Repository for my the dataset creation, OCSR tool testing and evaluation steps of my bachelor's thesis.
DECIMER-Image-Segmentation
Using decimer-segmentation to extract structures out of DrugHunter.
LiabilityPredictor
Using QSAR modeling to predict if a compound will be a liability to a given assay
MolScribe
Updated setup.py requirments so that package can be installed
OCSR-Segmentation-Bench
Benchmarking of freely available tools for segmentation of chemical structure images from publication papers.
PubChem-Bioassays-Promiscuity
Analysis of compounds promiscuity in PubChem Bioassays data