Official Python client for accessing ChEMBL API
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Updated
Feb 26, 2024 - Python
Official Python client for accessing ChEMBL API
Write reproducible code for getting and processing ChEMBL
Go REST API to replace Genbank, Uniprot, Rhea, and CHEMBL
Web Interface for ChEMBL @ EMBL-EBI
Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready for a large scale virtual screening for certain protein target.
Machine learning project to evaluate machine learning approaches in drug discovery.
Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.
An iterative process that uses two machine learning models to generate the best inhibitors for a target protein to help reduce the time and cost of the drug discovery process
Open Source, machine learning QSAR model with public data or your local data, The model utilises molecular descriptors as the independent variable, bioactivity as the dependent variable, random forest as a mathematical model.
A Python script predicting pIC50 values of compounds obtained from the ChEMBL database against the target protein, aromatase. The molecular descriptor used in this script is PubChem fingerprint.
A Drug Discovery method using CHEMBL database, Lipinski Parameters, molecular fingerprint (padel) for SARS coronavirus 3C-like proteinase.
Classification of bioactivity and effectiveness of the drug based on Lipinski molecular descriptors for ABL-kinase using Machine learning classfiers
MINDPROT: Markov Inside for Drugs and Proteins
Drug Discovery model targeting the SARS coronavirus
This ebook has information about life science databases, their SPARQL endpoints, what information they hold, what data models they use, and how to query those.
This scripts tries to predict the bioactivity of 131 compounds related to Aspartate Racemase enzyme with the aid of decision trees and SVM
Code to retrieve drugs against a desired target using the ChEMBL database API
Comprehensive resource for molecular studies, featuring SQL scripts for ChEMBL database analysis and detailed molecular dynamics simulation protocols. Ideal for computational chemistry and drug discovery research.
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