| 1 | Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds | Coautor: Mendez-Lucio, Oscar, Bajorath, Juergen, Chavez-Hernandez, Ana L. L., Duran-Frigola, Miquel, et al. | 2022 | JOURNAL OF CHEMINFORMATICS | WoS-id: 000913308900001
Scopus-id: 2-s2.0-85143316635
| 18 | 21 |
| 2 | A geometric deep learning approach to predict binding conformations of bioactive molecules | 1ᵉʳ autor: Méndez-Lucio O., Ahmad M., del Rio-Chanona E.A., Wegner J.K. | 2021 | Nature Machine Intelligence | WoS-id: 000725379800001
Scopus-id: 2-s2.0-85120640773
| 79 | 93 |
| 3 | Exploring the Use of Compound-Induced Transcriptomic Data Generated From Cell Lines to Predict Compound Activity Toward Molecular Targets | Coautor: Méndez-Lucio O., Baillif B., Wichard J., Rouquié D. | 2020 | Frontiers in Chemistry | WoS-id: 000533873600001
Scopus-id: 2-s2.0-85084372767
| 16 | 16 |
| 4 | De novo generation of hit-like molecules from gene expression signatures using artificial intelligence | 1ᵉʳ autor: Méndez-Lucio O., Baillif B., Clevert D.-A., Rouquié D., et al. | 2020 | NATURE COMMUNICATIONS | WoS-id: 000551404100001
Scopus-id: 2-s2.0-85077480549
| 169 | 207 |
| 5 | Lysine harvesting is an antioxidant strategy and triggers underground polyamine metabolism | Coautor: Méndez-Lucio O., Olin-Sandoval V., Yu J.S.L., Miller-Fleming L., et al. | 2019 | Nature | WoS-id: 000479172800048
Scopus-id: 2-s2.0-85069928722
| 101 | 105 |
| 6 | Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening | 2ᵒ autor: Mendez-Lucio, Oscar, Paricharak, Shardul, Ravindranath, Aakash Chavan, Bender, Andreas, et al. | 2018 | BRIEFINGS IN BIOINFORMATICS | WoS-id: 000428800800010
Scopus-id: 2-s2.0-85056524560
| 21 | 30 |
| 7 | Diversity selection, screening and quantitative structure?activity relationships of osmolyte-like additive effects on the thermal stability of a monoclonal antibody | 2ᵒ autor: Méndez-Lucio O., Oyetayo O.-O., Bender A., Kiefer H. | 2017 | EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES | WoS-id: 000390699500017
Scopus-id: 2-s2.0-84995975287
| 11 | 11 |
| 8 | The many roles of molecular complexity in drug discovery | 1ᵉʳ autor: Mendez-Lucio, Oscar, Medina-Franco, Jose L. | 2017 | DRUG DISCOVERY TODAY | WoS-id: 000392787800013
Scopus-id: 2-s2.0-84995489088
| 118 | 127 |
| 9 | Activity Landscape Plotter: A Web-Based Application for the Analysis of Structure-Activity Relationships | 2ᵒ autor: Mendez-Lucio, Oscar, Gonzalez-Medina, Mariana, Medina-Franco, Jose L. | 2017 | JOURNAL OF CHEMICAL INFORMATION AND MODELING | WoS-id: 000397838100003
Scopus-id: 2-s2.0-85025092523
| 22 | 23 |
| 10 | Towards understanding polyol additive effects on the pH shift-induced aggregation of a monoclonal antibody using high throughput screening and quantitative structure-activity modeling | 2ᵒ autor: Méndez-Lucio O., Oyetayo O.-O., Bender A., Kiefer H. | 2017 | INTERNATIONAL JOURNAL OF PHARMACEUTICS | WoS-id: 000410643800018
Scopus-id: 2-s2.0-85026453048
| 2 | 2 |
| 11 | Activity landscape plotter: An open web-based server to assess structure activity relationships | 2ᵒ autor: Mendez-Lucio, Oscar, Gonzalez-Medina, Mariana, Medina-Franco, Jose | 2017 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000429525602823
| 0 | 0 |
| 12 | Advances in the development of pyridinone derivatives as non-nucleoside reverse transcriptase inhibitors | 2ᵒ autor: Mendez-Lucio, Oscar, Vite-Caritino, Hugo, Reyes, Hector, Cabrera, Alberto, et al. | 2016 | RSC ADVANCES | WoS-id: 000368191100053
Scopus-id: 2-s2.0-84954177773
| 16 | 19 |
| 13 | ARWAR: A network approach for predicting Adverse Drug Reactions | Coautor: Méndez-Lucio O., Rahmani H., Weiss G., Bender A. | 2016 | COMPUTERS IN BIOLOGY AND MEDICINE | WoS-id: 000369206200012
Scopus-id: 2-s2.0-84949235014
| 17 | 19 |
| 14 | Statistical correlation of nonconservative substitutions of HIV gp41 variable amino acid residues with the R5X4 HIV-1 phenotype | Coautor: Mendez-Lucio, Oscar, Pacheco-Martinez, Elena, Figueroa-Medina, Evangelina, Villarreal, Carlos, et al. | 2016 | VIROLOGY JOURNAL | WoS-id: 000370470300004
Scopus-id: 2-s2.0-84958259734
| 3 | 4 |
| 15 | A chemical space odyssey of inhibitors of histone deacetylases and bromodomains | Coautor: Mendez-Lucio, Oscar, Prieto-Martinez, Fernando D., Fernandez-de Gortari, Eli, Medina-Franco, Jose L. | 2016 | RSC ADVANCES | WoS-id: 000378275400067
Scopus-id: 2-s2.0-84975065637
| 25 | 26 |
| 16 | Review. One Drug for Multiple Targets: A Computational Perspective | 1ᵉʳ autor: Mendez-Lucio, Oscar, Jesus Naveja, J., Vite-Caritino, Hugo, Daniel Prieto-Martinez, Fernando, et al. | 2016 | Journal Of The Mexican Chemical Society | WoS-id: 000389975700010
Scopus-id: 2-s2.0-84994756614
| 26 | 30 |
| 17 | Polypharmacology modelling using proteochemometrics (PCM): Recent methodological developments, applications to target families, and future prospects | Coautor: Méndez-Lucio O., Cortés-Ciriano I., Ain Q.U., Subramanian V., et al. | 2015 | Medchemcomm | WoS-id: 000349700400003
Scopus-id: 2-s2.0-84920496470
| 90 | 102 |
| 18 | Analyzing multitarget activity landscapes using protein-ligand interaction fingerprints: Interaction cliffs | 1ᵉʳ autor: Méndez-Lucio O., Kooistra A.J., de Graaf, C, Bender A., et al. | 2015 | JOURNAL OF CHEMICAL INFORMATION AND MODELING | WoS-id: 000349943100006
Scopus-id: 2-s2.0-84923342620
| 21 | 23 |
| 19 | Discovery and development of DNA methyltransferase inhibitors using in silico approaches This paper is dedicated to the memory of Dr Eugene Athanas Bratoeff Titeff honoring his many contributions to drug discovery. | 2ᵒ autor: Méndez-Lucio O., Medina-Franco J.L., DuenasGonzalez, A, Yoo J. | 2015 | DRUG DISCOVERY TODAY | WoS-id: 000355714600009
Scopus-id: 2-s2.0-84929160714
| 44 | 47 |
| 20 | Activity cliffs and activity cliff generators based on chemotype-related activity landscapes | 2ᵒ autor: Méndez-Lucio O., Pérez-Villanueva J., Soria-Arteche O., Medina-Franco J.L. | 2015 | MOLECULAR DIVERSITY | WoS-id: 000362345200029
Scopus-id: 2-s2.0-84942981512
| 23 | 25 |
| 21 | Activity and property landscape modeling is at the interface of chemoinformatics and medicinal chemistry | Coautor y autor de correspondencia: MendezLucio, O, MedinaFranco, JL, NavarreteVazquez, G | 2015 | FUTURE MEDICINAL CHEMISTRY | WoS-id: 000362886200007
Scopus-id: 2-s2.0-84935088949
| 24 | 26 |
| 22 | Toward drug repurposing in epigenetics: Olsalazine as a hypomethylating compound active in a cellular context | 1ᵉʳ autor: Méndez-Lucio O., Tran J., Medina-Franco J.L., Meurice N., et al. | 2014 | Chemmedchem | WoS-id: 000331795500013
Scopus-id: 2-s2.0-84896691228
| 59 | 71 |
| 23 | Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features | 2ᵒ autor: Méndez-Lucio O., Ain Q.U., Ciriano I.C., Malliavin T., et al. | 2014 | INTEGR BIOL-UK | WoS-id: 000344203000003
Scopus-id: 2-s2.0-84908152847
| 27 | 30 |
| 24 | Drug repurposing and epigenetics: Olsalazine is a hypomethylating compound active in a cellular context | 2ᵒ autor: Mendez-Lucio, O, Medina-Franco, JL, Petit, J, Tran, J, et al. | 2014 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000349165103401
| 0 | 0 |
| 25 | Cyclic systems distribution along similarity measures: Insights for an application to activity landscape modeling | 2ᵒ autor: Méndez-Lucio O., Pérez-Villanueva J., Soria-Arteche O., Izquierdo T., et al. | 2013 | MOLECULAR INFORMATICS | WoS-id: 000315147900006
Scopus-id: 2-s2.0-84874037909
| 3 | 3 |
| 26 | Towards the identification of the binding site of benzimidazoles to ß-tubulin of Trichinella spiralis: Insights from computational and experimental data | 2ᵒ autor: Méndez-Lucio O., Aguayo-Ortiz R., Medina-Franco J.L., Castillo R., et al. | 2013 | JOURNAL OF MOLECULAR GRAPHICS & MODELLING | WoS-id: 000317795900002
Scopus-id: 2-s2.0-84875538937
| 40 | 46 |
| 27 | Synthesis and antiprotozoal activity of novel 2-{[2-(1H-imidazol-1-yl) ethyl]sulfanyl}-1H-benzimidazole derivatives | Coautor: Méndez-Lucio O., Pérez-Villanueva J., Hernández-Campos A., Yépez-Mulia L., et al. | 2013 | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | WoS-id: 000320704600042
Scopus-id: 2-s2.0-84879417008
| 51 | 52 |
| 28 | Two-step radical reactions that switch low multiplicity channels leading to the carbene and carbyne species detected for Ru(5F) + CH 4-nFn (n = 2-4) interactions under matrix isolation conditions | 2ᵒ autor: Mendez, O, Torres, AE, Colmenares, F | 2013 | RSC ADVANCES | WoS-id: 000321203900039
Scopus-id: 2-s2.0-84879847861
| 10 | 10 |
| 29 | Activity landscape analysis, CoMFA and CoMSIA studies of pyrazole CB1 antagonists | 2ᵒ autor: Mendez-Lucio, O, Hernandez-Vazquez, E, Hernandez-Luis, F | 2013 | MEDICINAL CHEMISTRY RESEARCH | WoS-id: 000322181300009
Scopus-id: 2-s2.0-84881119997
| 7 | 9 |
| 30 | Molecular basis for benzimidazole resistance from a novel ß-tubulin binding site model | 2ᵒ autor: Méndez-Lucio O., Aguayo-Ortiz R., Romo-Mancillas A., Castillo R., et al. | 2013 | JOURNAL OF MOLECULAR GRAPHICS & MODELLING | WoS-id: 000326849200003
Scopus-id: 2-s2.0-84884546000
| 45 | 56 |
| 31 | Activity landscape modeling of PPAR ligands with dual-activity difference maps | 1ᵉʳ autor: Méndez-Lucio O., Pérez-Villanueva J., Castillo R., Medina-Franco J.L. | 2012 | BIOORGANIC & MEDICINAL CHEMISTRY | WoS-id: 000303935800014
Scopus-id: 2-s2.0-84861193545
| 16 | 18 |
| 32 | Computational study on the inhibition mechanism of cruzain by nitrile-containing molecules | 1ᵉʳ autor: Méndez-Lucio O., Romo-Mancillas A., Medina-Franco J.L., Castillo R. | 2012 | JOURNAL OF MOLECULAR GRAPHICS & MODELLING | WoS-id: 000304513400004
Scopus-id: 2-s2.0-84859793022
| 13 | 14 |
| 33 | CASE Plots for the Chemotype-Based Activity and Selectivity Analysis: A CASE Study of Cyclooxygenase Inhibitors | Coautor: Méndez-Lucio O., Pérez-Villanueva J., Medina-Franco J.L., Yoo J., et al. | 2012 | CHEMICAL BIOLOGY & DRUG DESIGN | WoS-id: 000309595500013
Scopus-id: 2-s2.0-84867231295
| 11 | 11 |
| 34 | Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps | 1ᵉʳ autor: Méndez-Lucio O., Pérez-Villanueva J., Castillo R., Medina-Franco J.L. | 2012 | MOLECULAR INFORMATICS | WoS-id: 000312693300007
Scopus-id: 2-s2.0-84872826468
| 32 | 33 |
| 35 | Homology modeling, docking and molecular dynamics of the Leishmania mexicana arginase: A description of the catalytic site useful for drug design | 2ᵒ autor: Mendez-Lucio, O, Mendez-Cuesta, CA, Castillo, R | 2012 | JOURNAL OF MOLECULAR GRAPHICS & MODELLING | WoS-id: 000313392800006
Scopus-id: 2-s2.0-84867477333
| 23 | 22 |
| 36 | Activity landscape modeling of PPAR ligands with dual-activity difference maps | 1ᵉʳ autor: Mendez-Lucio, O, Perez-Villanueva, J, Castillo, R, Medina-Franco, JL | 2012 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000324621802188
| 0 | 0 |
| 37 | Design, synthesis, and antihyiperglycemic activity of potent 1,5-diarilpyrazole derivatives | 2ᵒ autor: Mendez-Lucio, O, Hernandez-Vazquez, E, Ramirez-Espinosa, JJ, Estrada-Soto, S, et al. | 2012 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000324621805740
| 0 | 0 |
| 38 | Computational study of a possible binding site of benzimidazoles to b-tubulin of Trichinella spiralis | 2ᵒ autor: Mendez-Lucio, O, Aguayo-Ortiz, R, Yepez-Mulia, L, Hernandez-Luis, F, et al. | 2012 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000324621805783
| 0 | 0 |
| 39 | Computational study on the inhibition of cruzain by purine-carbonitriles | 1ᵉʳ autor: Mendez-Lucio, O, Perez-Villanueva, J, Romo-Mancillas, A, Medina-Franco, JL, et al. | 2012 | Abstracts Of Papers Of The American Chemical Society | WoS-id: 000324621805798
| 0 | 0 |
| 40 | 3D-QSAR studies on purine-carbonitriles as cruzain inhibitors: comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) | 1ᵉʳ autor: Méndez-Lucio O., Pérez-Villanueva J., Romo-Mancillas A., Castillo R. | 2011 | Medchemcomm | WoS-id: 000297960100004
Scopus-id: 2-s2.0-80455163178
| 11 | 10 |
| 41 | Theoretical Study of the Reactions M+ + CH3F (M=Ge, As, Se, Sb) | 1ᵉʳ autor: Mendez, O, Colmenares, F | 2010 | Chemphyschem | WoS-id: 000279742800014
Scopus-id: 2-s2.0-77953933388
| 6 | 6 |
| 42 | Theoretical study on the oxidative addition of methyl fluoride to Ru+ | 2ᵒ autor: Mendez, O, Bernabe, E, Colmenares, F | 2009 | CHEMICAL PHYSICS LETTERS | WoS-id: 000266948100005
Scopus-id: 2-s2.0-67649300273
| 6 | 7 |
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