An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on exploring the ChEMBL database. Please use the link below to view all projects in the READDI-AViDD pipeline.
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Updated
May 31, 2024
An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on exploring the ChEMBL database. Please use the link below to view all projects in the READDI-AViDD pipeline.
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.
A Drug Discovery method using CHEMBL database, Lipinski Parameters, molecular fingerprint (padel) for SARS coronavirus 3C-like proteinase.
Automatic extraction of interacting compound-target pairs from ChEMBL.
Drug Discovery model targeting the SARS coronavirus
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
Official Python client for accessing ChEMBL API
Write reproducible code for getting and processing ChEMBL
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.
Go REST API to replace Genbank, Uniprot, Rhea, and CHEMBL
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.
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.
Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.
AI-based Quantitative structure Activity relationship study for Alzheimer's disease
Code to retrieve drugs against a desired target using the ChEMBL database API
MINDPROT: Markov Inside for Drugs and Proteins
HWs - "Computational Drug Design" - Sharif University of Technology (SUT) - Prof. Ali Mohammadian - Fall 2022 (1401-1).
Drug Discovery for Multiple Sclerosis Disease
A Python package to process & model ChEMBL data.
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