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José L. Medina-Franco
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2020 – today
- 2024
- [j43]Juan F. Avellaneda-Tamayo
, Ana L. Chávez-Hernández
, Diana L. Prado-Romero
, José L. Medina-Franco
:
Chemical Multiverse and Diversity of Food Chemicals. J. Chem. Inf. Model. 64(4): 1229-1244 (2024) - [j42]Angel Jonathan Ruiz-Moreno
, Raziel Cedillo-González
, Luis Cordova-Bahena, Zhiqiang An, José L. Medina-Franco
, Marco Velasco-Velázquez
:
Consensus Pharmacophore Strategy For Identifying Novel SARS-Cov-2 Mpro Inhibitors from Large Chemical Libraries. J. Chem. Inf. Model. 64(6): 1984-1995 (2024) - 2023
- [j41]Karla Gonzalez-Ponce, Carolina Horta Andrade
, Fiona M. I. Hunter
, Johannes Kirchmair
, Karina Martínez-Mayorga, José L. Medina-Franco
, Matthias Rarey, Alexander Tropsha, Alexandre Varnek, Barbara Zdrazil
:
School of cheminformatics in Latin America. J. Cheminformatics 15(1): 82 (2023) - [j40]Daniela Gaytán-Hernández, Ana L. Chávez-Hernández, Edgar López-López, Jazmín Miranda-Salas, Fernanda I. Saldívar-González, José L. Medina-Franco:
Art driven by visual representations of chemical space. J. Cheminformatics 15(1): 100 (2023) - 2022
- [j39]José L. Medina-Franco, Edgar López-López:
The Essence and Transcendence of Scientific Publishing. Frontiers Res. Metrics Anal. 7: 822453 (2022) - [j38]José L. Medina-Franco
, Norberto Sánchez-Cruz
, Edgar López-López
, Bárbara I. Díaz-Eufracio
:
Progress on open chemoinformatic tools for expanding and exploring the chemical space. J. Comput. Aided Mol. Des. 36(5): 341-354 (2022) - [j37]Veerabahu Shanmugasundaram
, Jürgen Bajorath
, Ralph E. Christoffersen, James D. Petke, W. Jeffrey Howe, Mark A. Johnson, Dimitris K. Agrafiotis
, Pil Lee
, Leslie A. Kuhn
, Jay T. Goodwin
, M. Katharine Holloway, Thompson N. Doman, W. Patrick Walters
, Suzanne K. Schreyer, José L. Medina-Franco
, Karina Martínez-Mayorga
, Linda L. Restifo
:
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator. J. Comput. Aided Mol. Des. 36(9): 623-638 (2022) - [j36]Jürgen Bajorath, Ana L. Chávez-Hernández
, Miquel Duran-Frigola
, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson
, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-González, Norberto Sánchez-Cruz, Marilia Valli:
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds. J. Cheminformatics 14(1): 82 (2022) - [j35]Timothy B. Dunn, Gustavo de M. Seabra
, Taewon David Kim, K. Eurídice Juárez-Mercado
, Chenglong Li, José L. Medina-Franco
, Ramón Alain Miranda-Quintana
:
Diversity and Chemical Library Networks of Large Data Sets. J. Chem. Inf. Model. 62(9): 2186-2201 (2022) - 2021
- [j34]Norberto Sánchez-Cruz
, José L. Medina-Franco
, Jordi Mestres, Xavier Barril
:
Extended connectivity interaction features: improving binding affinity prediction through chemical description. Bioinform. 37(10): 1376-1382 (2021) - [j33]Fidele Ntie-Kang
, Kiran K. Telukunta
, Serge A. T. Fobofou
, Victor Chukwudi Osamor
, Samuel A. Egieyeh
, Marilia Valli
, Yannick Djoumbou Feunang
, Maria Sorokina
, Conrad Stork
, Neann Mathai
, Paul F. Zierep
, Ana L. Chávez-Hernández, Miquel Duran-Frigola
, Smith B. Babiaka
, Romuald Tematio Fouedjou
, Donatus B. Eni
, Simeon Akame
, Augustine B. Arreyetta-Bawak
, Oyere T. Ebob
, Jonathan A. Metuge, Boris D. Bekono
, Mustafa A. Isa
, Raphael Onuku
, Daniel M. Shadrack
, Thommas M. Musyoka
, Vaishali M. Patil
, Justin J. J. van der Hooft
, Vanderlan da Silva Bolzani
, José L. Medina-Franco
, Johannes Kirchmair
, Tilmann Weber
, Özlem Tastan Bishop
, Marnix H. Medema
, Ludger A. Wessjohann
, Jutta Ludwig-Müller
:
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop. J. Cheminformatics 13(1): 64 (2021) - [j32]Edgar López-López
, Jürgen Bajorath
, José L. Medina-Franco
:
Informatics for Chemistry, Biology, and Biomedical Sciences. J. Chem. Inf. Model. 61(1): 26-35 (2021) - [j31]Norberto Sánchez-Cruz
, José L. Medina-Franco
:
Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules. J. Chem. Inf. Model. 61(4): 1550-1554 (2021) - [i4]José L. Medina-Franco
:
Expanding the Chemical Information Science gateway. F1000Research 10: 294 (2021) - [i3]José L. Medina-Franco
, Karina Martínez-Mayorga, Eli Fernández-de Gortari, Johannes Kirchmair
, Jürgen Bajorath
:
Rationality over fashion and hype in drug design. F1000Research 10: 397 (2021) - 2020
- [j30]Edgar López-López
, Obdulia Rabal
, Julen Oyarzabal
, José L. Medina-Franco
:
Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach. J. Comput. Aided Mol. Des. 34(6): 659-669 (2020) - [j29]Fernanda I. Saldívar-González
, C. Sebastian Huerta-García
, José L. Medina-Franco
:
Chemoinformatics-based enumeration of chemical libraries: a tutorial. J. Cheminformatics 12(1): 64 (2020) - [j28]Gerald M. Maggiora, José L. Medina-Franco
, Javed Iqbal, Martin Vogt
, Jürgen Bajorath
:
From Qualitative to Quantitative Analysis of Activity and Property Landscapes. J. Chem. Inf. Model. 60(12): 5873-5880 (2020)
2010 – 2019
- 2019
- [j27]J. Jesús Naveja
, B. Angélica Pilón-Jiménez
, Jürgen Bajorath
, José L. Medina-Franco
:
A general approach for retrosynthetic molecular core analysis. J. Cheminformatics 11(1): 61:1-61:9 (2019) - [j26]Fernanda I. Saldívar-González, Marilia Valli
, Adriano D. Andricopulo, Vanderlan da Silva Bolzani
, José L. Medina-Franco
:
Chemical Space and Diversity of the NuBBE Database: A Chemoinformatic Characterization. J. Chem. Inf. Model. 59(1): 74-85 (2019) - [j25]J. Jesús Naveja
, Dagmar Stumpfe, José L. Medina-Franco
, Jürgen Bajorath
:
Exploration of Target Synergy in Cancer Treatment by Cell-Based Screening Assay and Network Propagation Analysis. J. Chem. Inf. Model. 59(6): 3072-3079 (2019) - 2018
- [j24]Norberto Sánchez-Cruz
, José L. Medina-Franco
:
Statistical-based database fingerprint: chemical space dependent representation of compound databases. J. Cheminformatics 10(1): 55:1-55:13 (2018) - [i2]J. Jesús Naveja
, Mariel P. Rico-Hidalgo
, José L. Medina-Franco
:
Analysis of a large food chemical database: chemical space, diversity, and complexity. F1000Research 7: 993 (2018) - 2017
- [j23]Eli Fernández-de Gortari, César R. García-Jacas, Karina Martínez-Mayorga, José L. Medina-Franco
:
Database fingerprint (DFP): an approach to represent molecular databases. J. Cheminformatics 9(1): 9:1-9:9 (2017) - [j22]Mariana González-Medina
, Oscar Méndez-Lucio, José L. Medina-Franco
:
Activity Landscape Plotter: A Web-Based Application for the Analysis of Structure-Activity Relationships. J. Chem. Inf. Model. 57(3): 397-402 (2017) - [j21]Mariana González-Medina
, José L. Medina-Franco
:
Platform for Unified Molecular Analysis: PUMA. J. Chem. Inf. Model. 57(8): 1735-1740 (2017) - [i1]J. Jesús Naveja
, José L. Medina-Franco
:
ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds. F1000Research 6: 1134- (2017) - 2016
- [j20]Mariana González-Medina, Fernando D. Prieto-Martínez
, John R. Owen, José L. Medina-Franco
:
Consensus Diversity Plots: a global diversity analysis of chemical libraries. J. Cheminformatics 8(1): 63:1-63:11 (2016) - 2015
- [j19]Oscar Méndez-Lucio
, Albert J. Kooistra
, Chris de Graaf
, Andreas Bender, José L. Medina-Franco
:
Analyzing Multitarget Activity Landscapes Using Protein-Ligand Interaction Fingerprints: Interaction Cliffs. J. Chem. Inf. Model. 55(2): 251-262 (2015) - [j18]Rosa L. Camacho-Mendoza, Evelin Gutiérrez-Moreno
, Edmundo Guzmán-Percástegui
, Eliazar Aquino-Torres
, Julián Cruz-Borbolla
, José A. Rodríguez-Ávila, José G. Alvarado-Rodríguez
, Oscar Olvera-Neria, Pandiyan Thangarasu
, José L. Medina-Franco
:
Density Functional Theory and Electrochemical Studies: Structure-Efficiency Relationship on Corrosion Inhibition. J. Chem. Inf. Model. 55(11): 2391-2402 (2015) - 2014
- [j17]Rajarshi Guha, José L. Medina-Franco
:
On the validity versus utility of activity landscapes: are all activity cliffs statistically significant? J. Cheminformatics 6(1): 11 (2014) - 2013
- [j16]José L. Medina-Franco
, Bruce S. Edwards, Clemencia Pinilla, Jon R. Appel, Marc A. Giulianotti
, Radleigh Santos, Austin B. Yongye, Larry A. Sklar, Richard A. Houghten:
Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches. J. Chem. Inf. Model. 53(6): 1475-1485 (2013) - [j15]Radleigh Santos, Marc A. Giulianotti
, Richard A. Houghten, José L. Medina-Franco
:
Conditional Probabilistic Analysis for Prediction of the Activity Landscape and Relative Compound Activities. J. Chem. Inf. Model. 53(10): 2613-2625 (2013) - 2012
- [j14]José L. Medina-Franco, Austin B. Yongye, Jaime Pérez-Villanueva, Richard A. Houghten, Karina Martínez-Mayorga:
Activity-difference maps and consensus similarity measure characterize structure-activity relationships. J. Cheminformatics 4(S-1): 24 (2012) - [j13]Jakyung Yoo, José L. Medina-Franco:
Computer-guided discovery of epigenetics drugs: molecular modeling and identification of inhibitors of DNMT1. J. Cheminformatics 4(S-1): 25 (2012) - [j12]Fabian López-Vallejo, Jacob Waddell, Austin B. Yongye, Richard A. Houghten, José L. Medina-Franco:
A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis. J. Cheminformatics 4(S-1): 26 (2012) - [j11]Thomas Scior, Andreas Bender, Gary Tresadern
, José L. Medina-Franco
, Karina Martínez-Mayorga, Thierry Langer
, Karina Cuanalo-Contreras, Dimitris K. Agrafiotis
:
Recognizing Pitfalls in Virtual Screening: A Critical Review. J. Chem. Inf. Model. 52(4): 867-881 (2012) - [j10]Austin B. Yongye, José L. Medina-Franco
:
Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds. J. Chem. Inf. Model. 52(9): 2454-2461 (2012) - [j9]José L. Medina-Franco
:
Scanning Structure-Activity Relationships with Structure-Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches. J. Chem. Inf. Model. 52(10): 2485-2493 (2012) - 2011
- [j8]Jakyung Yoo, José L. Medina-Franco
:
Homology modeling, docking and structure-based pharmacophore of inhibitors of DNA methyltransferase. J. Comput. Aided Mol. Des. 25(6): 555-567 (2011) - [j7]Austin B. Yongye, Kendall G. Byler, Radleigh Santos, Karina Martínez-Mayorga, Gerald M. Maggiora
, José L. Medina-Franco
:
Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations. J. Chem. Inf. Model. 51(6): 1259-1270 (2011) - [j6]John R. Owen, Ian T. Nabney
, José L. Medina-Franco
, Fabian López-Vallejo
:
Visualization of Molecular Fingerprints. J. Chem. Inf. Model. 51(7): 1552-1563 (2011) - [j5]José L. Medina-Franco
, Austin B. Yongye, Jaime Pérez-Villanueva
, Richard A. Houghten, Karina Martínez-Mayorga:
Multitarget Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure. J. Chem. Inf. Model. 51(9): 2427-2439 (2011)
2000 – 2009
- 2009
- [j4]José L. Medina-Franco
, Karina Martínez-Mayorga, Andreas Bender, Ray M. Marín, Marc A. Giulianotti
, Clemencia Pinilla, Richard A. Houghten:
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs. J. Chem. Inf. Model. 49(2): 477-491 (2009) - [j3]Narender Singh, Rajarshi Guha, Marc A. Giulianotti
, Clemencia Pinilla, Richard A. Houghten, José L. Medina-Franco
:
Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository. J. Chem. Inf. Model. 49(4): 1010-1024 (2009) - 2005
- [j2]José L. Medina-Franco
, Alexander Golbraikh, Scott Oloff, Rafael Castillo, Alexander Tropsha:
Quantitative Structure-activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the k Nearest Neighbor Method and QSAR-based Database Mining. J. Comput. Aided Mol. Des. 19(4): 229-242 (2005) - 2004
- [j1]José L. Medina-Franco
, Sergio Rodríguez-Morales, Cecilia Juárez-Gordiano, Alicia Hernández-Campos, Rafael Castillo:
Docking-based CoMFA and CoMSIA studies of non-nucleoside reverse transcriptase inhibitors of the pyridinone derivative type. J. Comput. Aided Mol. Des. 18(5): 345-360 (2004)
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last updated on 2024-08-14 23:20 CEST by the dblp team
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