José L. Medina-Franco

According to our database1, José L. Medina-Franco authored at least 38 papers between 2004 and 2022.

Collaborative distances:



In proceedings 
PhD thesis 


Online presence:



Diversity and Chemical Library Networks of Large Data Sets.
J. Chem. Inf. Model., 2022

Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds.
J. Cheminformatics, 2022

Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.
J. Comput. Aided Mol. Des., 2022

Progress on open chemoinformatic tools for expanding and exploring the chemical space.
J. Comput. Aided Mol. Des., 2022

The Essence and Transcendence of Scientific Publishing.
Frontiers Res. Metrics Anal., 2022

Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules.
J. Chem. Inf. Model., 2021

Informatics for Chemistry, Biology, and Biomedical Sciences.
J. Chem. Inf. Model., 2021

Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop.
J. Cheminformatics, 2021

Extended connectivity interaction features: improving binding affinity prediction through chemical description.
Bioinform., 2021

From Qualitative to Quantitative Analysis of Activity and Property Landscapes.
J. Chem. Inf. Model., 2020

Chemoinformatics-based enumeration of chemical libraries: a tutorial.
J. Cheminformatics, 2020

Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach.
J. Comput. Aided Mol. Des., 2020

Chemical Space and Diversity of the NuBBE Database: A Chemoinformatic Characterization.
J. Chem. Inf. Model., 2019

Exploration of Target Synergy in Cancer Treatment by Cell-Based Screening Assay and Network Propagation Analysis.
J. Chem. Inf. Model., 2019

A general approach for retrosynthetic molecular core analysis.
J. Cheminformatics, 2019

Statistical-based database fingerprint: chemical space dependent representation of compound databases.
J. Cheminformatics, 2018

Activity Landscape Plotter: A Web-Based Application for the Analysis of Structure-Activity Relationships.
J. Chem. Inf. Model., 2017

Database fingerprint (DFP): an approach to represent molecular databases.
J. Cheminformatics, 2017

Consensus Diversity Plots: a global diversity analysis of chemical libraries.
J. Cheminformatics, 2016

Analyzing Multitarget Activity Landscapes Using Protein-Ligand Interaction Fingerprints: Interaction Cliffs.
J. Chem. Inf. Model., 2015

Density Functional Theory and Electrochemical Studies: Structure-Efficiency Relationship on Corrosion Inhibition.
J. Chem. Inf. Model., 2015

On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?
J. Cheminformatics, 2014

Conditional Probabilistic Analysis for Prediction of the Activity Landscape and Relative Compound Activities.
J. Chem. Inf. Model., 2013

Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches.
J. Chem. Inf. Model., 2013

Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds.
J. Chem. Inf. Model., 2012

Recognizing Pitfalls in Virtual Screening: A Critical Review.
J. Chem. Inf. Model., 2012

Scanning Structure-Activity Relationships with Structure-Activity Similarity and Related Maps: From <i>Consensus Activity Cliffs</i> to <i>Selectivity Switches</i>.
J. Chem. Inf. Model., 2012

Computer-guided discovery of epigenetics drugs: molecular modeling and identification of inhibitors of DNMT1.
J. Cheminformatics, 2012

Activity-difference maps and consensus similarity measure characterize structure-activity relationships.
J. Cheminformatics, 2012

A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis.
J. Cheminformatics, 2012

Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations.
J. Chem. Inf. Model., 2011

Visualization of Molecular Fingerprints.
J. Chem. Inf. Model., 2011

Multitarget Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure.
J. Chem. Inf. Model., 2011

Homology modeling, docking and structure-based pharmacophore of inhibitors of DNA methyltransferase.
J. Comput. Aided Mol. Des., 2011

Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository.
J. Chem. Inf. Model., 2009

Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: <i>Consensus Activity Cliffs</i>.
J. Chem. Inf. Model., 2009

Quantitative Structure-activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the <i>k</i> Nearest Neighbor Method and QSAR-based Database Mining.
J. Comput. Aided Mol. Des., 2005

Docking-based CoMFA and CoMSIA studies of non-nucleoside reverse transcriptase inhibitors of the pyridinone derivative type.
J. Comput. Aided Mol. Des., 2004