DIFACQUIM Tools for Chemoinformatics - difacquim

DIFACQUIM Tools for Cheminformatics

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.

Sánchez-Cruz N, Medina-Franco JL Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules. J. Chem. Inf. Model. 2021 61:1550-1554
Sánchez-Cruz N, Medina-Franco JL. Epigenetic Target Fishing with Accurate Machine Learning Models. J. Med. Chem. 2021 in press

D-Peptide Builder server

A chemoinformatic tool to enumerate combinatorial libraries

Díaz-Eufracio BI, Palomino-Hernández O, Arredondo-Sánchez A, Medina-Franco JL. D‐Peptide Builder: A Web Service to Enumerate, Analyze, and Visualize the Chemical Space of Combinatorial Peptide Libraries. Molecular Informatics 2020, 39: 2000035

Platform for Unified Molecular Analysis (PUMA)

Click here to go to the App

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

González-Medina M, Medina-Franco JL. Platform for Unified Molecular Analysis: PUMA. J. Chem. Inf. Model. 2017, 57, 1735-1740

PUMA example

PBOX.csv

Comma Separated Value File 25.0 KB

PUMA template

Puma_template.csv

Comma Separated Value File 18 Bytes

Activity Landscape Plotter

Click here to go to the App

González-Medina M, Méndez-Lucio O, Medina-Franco JL. Activity Landscape Plotter: A Web-based Application for the Analysis of Structure-Activity Relationships. Journal of Chemical Information and Modeling 2017, 57, 397-402

HDACs_Example.csv

Comma Separated Value File 14.0 KB

BRDs_Example.csv

Comma Separated Value File 8.3 KB

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

Gonzalez-Medina M, Prieto-Martinez FD, Owen JR, Medina-Franco JL. Consensus Diversity Plots: A Global Diversity Analysis of Chemical Libraries. Journal of Cheminformatics 2016, 8, 63.

CDPs_template.csv

Comma Separated Value File 82 Bytes

BIOFACQUIM database

BIOFACQUIM_V1.csv

Comma Separated Value File 76.0 KB

Visualization