Fraunhofer-ITMP / Pharmaceutical-patent-landscapingLinks
Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug discovery perspective"
☆13Updated last year
Alternatives and similar repositories for Pharmaceutical-patent-landscaping
Users that are interested in Pharmaceutical-patent-landscaping are comparing it to the libraries listed below
Sorting:
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆19Updated last year
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆18Updated 3 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆64Updated last year
- ☆23Updated last year
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆20Updated last year
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆21Updated last year
- ☆15Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆35Updated last year
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆15Updated 5 months ago
- GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit☆12Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- Machine learning accelerated docking screens☆54Updated 5 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆24Updated 2 weeks ago
- Code for "De novo molecular design with chemical language models"☆13Updated 3 years ago
- ☆20Updated 2 years ago
- Python API for Pharmer☆12Updated 6 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- A collection of notebooks and scripts for the prediction of follow-up compounds in☆11Updated 6 months ago
- A validating SMILES parser, with support for incomplete SMILES☆27Updated 5 months ago
- ☆31Updated 2 months ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆47Updated 4 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆13Updated 4 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated last year
- ☆45Updated 4 years ago
- Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data☆10Updated 8 years ago
- ☆28Updated last year
- ☆12Updated 8 months ago
- ☆9Updated 3 years ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Updated last year