bioactivity

There are 9 repositories under bioactivity topic.

  • dzjxzyd/pLM4ACE

    Language:Jupyter Notebook7200

  • cmk323/computational-drug-discovery-project

    The goal of this project is to generate a linear regression model that accepts ChEMBL inhibitor data for a target of interest as input and produces inhibitor bioactivity predictions with respect to the specified target as output.

    Language:Jupyter Notebook5100

  • HFooladi/THEMAP

    Task Hardness Estimation for Molecular Activity Predcition

    Language:Jupyter Notebook3100

  • AtilMohAmine/QSAR-Bioactivity-Predictor

    QSAR Bioactivity Predictor is a Python application that allows users to create QSAR models to predict bioactivity for a specific target.

    Language:Python2100

  • enveda/plant-chemical-space

    Source code and data for "Exploring the known chemical space of the plant kingdom: Insights into taxonomic patterns, knowledge gaps, and bioactive regions"

    Language:Jupyter Notebook1902

  • RicardoMBorges/DAFdiscovery

    DAFdiscovery is meant to disseminate STOCSY calculation for NP scientists to enable data fusion and discovery of compounds of interest from correlation calculations. The use of .csv files is meant to enable users to use their methods of choice for (MS and/or NMR) data processing.

    Language:Jupyter Notebook1310

  • Adam-maz/ChEMBL_parsing_script

    Script that enable researchers to parse through ChEMBL bioactivity reports in relation to a specific biological target and provides insight into some important for Computer-Aided Drug Design (CADD) features.

    Language:R0100

  • Amirreza-Mousavi/Aspartate_Racemase_Ligands_Bioactivity_Prediction

    This scripts tries to predict the bioactivity of 131 compounds related to Aspartate Racemase enzyme with the aid of decision trees and SVM

    Language:R0100

  • KanNudimmud/Bioinformatics

    Deployed NGS algorithm, Disease prediction from genes and bioactivity prediction of renin in python

    Language:Jupyter Notebook0100