DIFACQUIM Tools for Cheminformatics


BIO-MX


BIO-mx: A web application for the BIOFACQUIM natural product database

Fernando Martínez-Urrutia, José L. Medina-Franco

Herein, we introduce BIOMX-DB, an open and freely accessible web-based database designed to address this gap. BIOMX-DB enhances the features of the existing Mexican natural product database, BIOFACQUIM, by incorporating advanced search, filtering, and download capabilities.

 

For seamless access, BIOMX-DB is freely available. Click here!



MAYA - Multiple ActivitY Analyzer


MAYA (Multiple ActivitY Analyzer): An Open Access Tool to Explore Structure Multiple Activity Relationships in the Chemical Universe

J. Israel Espinoza-Castañeda,
 José L. Medina-Franco

We introduce MAYA (Multiple Activity Analyzer), a tool designed to automatically construct a chemical multiverse, generating multiple visualizations of chemical spaces of a compound data set described by structural descriptors of different nature.

 

The source code of MAYA is freely available on GitHub. Click here!



Chac - Mool (CHARaCterizer of MOOLecules)


KNIME Workflows for Chemoinformatic Characterization of Chemical Databases

Carlos D. Ramírez-MárquezJosé L. Medina-Franco 

In this Application Note, we compiled five workflows within the open-source data analytics and visualization platform KNIME that can be implemented for the chemoinformatic characterization of databases. For further information, click here.

 

 

KNIME workflows are freely available on GitHub. Click here!



Questions, suggestions or errors?

Contact Mariana González-Medina, Bárbara I. Díaz-Eufracio, Norberto Sánchez-Cruz or José L. Medina.

What is new?

Epigenetic Target Profiler is now freely accessible.




D-Peptide Builder server


A chemoinformatic tool to enumerate combinatorial libraries
A chemoinformatic tool to enumerate combinatorial libraries

Platform for Unified Molecular Analysis (PUMA)


Click here to go to the App

The user's guide can be downloaded as supplementary material here.

 

Click here to go to the GitHub repository!

https://github.com/mgm-14392/PUMA

Download
PUMA example
PBOX.csv
Comma Separated Value File 25.0 KB
Download
PUMA template
Puma_template.csv
Comma Separated Value File 18 Bytes


Activity Landscape Plotter


Click here to go to the App

 

Click here to go to the GitHub repository!

https://github.com/mgm-14392/ALPlotter

Download
HDACs_Example.csv
Comma Separated Value File 14.0 KB
Download
BRDs_Example.csv
Comma Separated Value File 8.3 KB
Download
Activity Landscape Plotter Template
Template.csv
Comma Separated Value File 53 Bytes


Consensus Diversity Plots (CDPS)


Click here or here to go to the App 

Download
CDPs_template.csv
Comma Separated Value File 82 Bytes



BIOFACQUIM database


Download
BIOFACQUIM_V1.csv
Comma Separated Value File 76.0 KB

Visualization