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: about 1 month ago - Pushed: about 1 month 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.

Language: Jupyter Notebook - Size: 40.6 MB - Last synced: 6 months ago - Pushed: 6 months ago - Stars: 0 - Forks: 0

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: 6 months ago - Pushed: 6 months ago - Stars: 1 - Forks: 0

dzjxzyd/pLM4ACE

Language: Jupyter Notebook - Size: 7.18 MB - Last synced: 10 months ago - Pushed: 10 months ago - Stars: 0 - Forks: 0

KanNudimmud/Bioinformatics

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

Language: Jupyter Notebook - Size: 2.9 MB - Last synced: 11 months ago - Pushed: 11 months ago - Stars: 1 - Forks: 0

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 Notebook - Size: 594 KB - Last synced: over 1 year ago - Pushed: almost 2 years ago - Stars: 0 - Forks: 0