HFooladi/THEMAP

Task Hardness Estimation for Molecular Activity Predcition (THEMAP)

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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: R - Size: 67.4 KB - Last synced at: 3 months ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0

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 Notebook - Size: 23.1 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 1 - Forks: 2

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.

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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: Python - Size: 19.5 MB - Last synced at: about 2 months ago - Pushed at: over 1 year ago - Stars: 2 - Forks: 0

dzjxzyd/pLM4ACE

Language: Jupyter Notebook - Size: 7.18 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

KanNudimmud/Bioinformatics

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

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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.

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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: R - Size: 27.3 KB - Last synced at: 7 months ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0