Topic: chembl Goto Github
Some thing interesting about chembl
Some thing interesting about chembl
chembl,HWs - "Computational Drug Design" - Sharif University of Technology (SUT) - Prof. Ali Mohammadian - Fall 2022 (1401-1).
User: a-fsh-r
chembl,This scripts tries to predict the bioactivity of 131 compounds related to Aspartate Racemase enzyme with the aid of decision trees and SVM
User: amirreza-mousavi
chembl,This repository is for the project 1 of the AI course.
User: aslandevbrat
chembl,Go REST API to replace Genbank, Uniprot, Rhea, and CHEMBL
Organization: bebop
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.
Organization: bigcat-um
Home Page: https://bigcat-um.github.io/PRA3006-SPARQL/
chembl,Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)
User: chao1224
Home Page: https://chao1224.github.io/SGNN-EBM
chembl,Official Python client for accessing ChEMBL API
Organization: chembl
Home Page: https://www.ebi.ac.uk/chembl/api/data/docs
chembl,Automatic extraction of interacting compound-target pairs from ChEMBL.
Organization: chembl
chembl,Web Interface for ChEMBL @ EMBL-EBI
Organization: chembl
Home Page: https://www.ebi.ac.uk/chembl/
chembl,A Drug Discovery method using CHEMBL database, Lipinski Parameters, molecular fingerprint (padel) for SARS coronavirus 3C-like proteinase.
User: chidhvilastanay
chembl,Supervised classification algorithm to predict if potential drug candidate will inhibit a protein involved in cancer metastasis, achieving 84% accuracy.
User: clreiner
chembl,Access to Biological Web Services from Python.
User: cokelaer
Home Page: http://bioservices.readthedocs.io
chembl,Write reproducible code for getting and processing ChEMBL
User: cthoyt
Home Page: https://chembl-downloader.readthedocs.io
chembl,Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.
User: dmyersturnbull
chembl,
User: florenciacastello
Home Page: http://target.sbg.qb.fcen.uba.ar/patho/
chembl,MINDPROT: Markov Inside for Drugs and Proteins
User: glezdiazh
chembl,Code to retrieve drugs against a desired target using the ChEMBL database API
User: iodiakou
chembl,Drug Discovery model targeting the SARS coronavirus
User: itsnileshhere
chembl,Machine learning project to evaluate machine learning approaches in drug discovery.
User: jscavetta95
chembl,Drug Discovery for Multiple Sclerosis Disease
User: kholoud-mamdouh
chembl,A Python package to process & model ChEMBL data.
User: konstanzer
chembl,The NeoChemSynthWave: Data project repository.
Organization: neo-chem-synth-wave
Home Page: https://github.com/neo-chem-synth-wave
chembl,Working with ChEMBL Data Web Services to retrieve data.
User: nizamibilal
chembl,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.
User: quantaosun
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.
User: quantaosun
chembl,AI-based Quantitative structure Activity relationship study for Alzheimer's disease
User: shaimaak
chembl,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.
Organization: structuralgenomicsconsortium
Home Page: https://tinyurl.com/READDIAC
chembl,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.
User: sulfierry
chembl,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
User: tanushgoel
chembl,Classification of bioactivity and effectiveness of the drug based on Lipinski molecular descriptors for ABL-kinase using Machine learning classfiers
User: vikasdubey0551
chembl,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.
User: weixin10
chembl,explorations with sparql
User: zachcp
Home Page: https://zachcp.github.io/sparql-explore/
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