Drug Response Analysis to Boolean Model Ensembles
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Updated
Nov 15, 2021 - Java
Drug Response Analysis to Boolean Model Ensembles
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An SGC Open Chemistry Networks Project (number 20) dedicated to finding hits vs CHIKV nsp2 helicase based on a Virtual Screen of Enamine REAL compounds.
PIAWeb - a graphical web interface for PIA
This project aims to develop a chemical probe of CHIKV-nsP3-macrodomain starting from a fragment screen
lord doge snorting coca cola and doing meth
Massively parallel computation of chemical spaces in cloud environments with surge
CrossTx: Cross-cell line Transcriptomic Signature Predictions
Inspect what phenotypes are associated with a disease
Convolutional Neural Networks
This Streamlit app allows you to search for the most "druglike" molecules basing on the "Rule of five"
This repository aims to demystify statistical concepts within the context of drug discovery with ML. It provides clear explanations and practical examples tailored to researchers and professionals in the field. From descriptive statistics to inferential methods, this resource will empower you to make data-driven decisions in drug development.
Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest
Automated processing of chemoproteomics data
Scaffolding homo sapiens enzymes inhibitors
Finding redundancies and similarities in SMILES datasets
An explainable inductive learning model on gene regulatory and toxicogenomic knowledge graph (under development...)
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