Extended connectivity interaction features: improving binding affinity prediction through chemical description N Sánchez-Cruz, JL Medina-Franco, J Mestres, X Barril Bioinformatics 37 (10), 1376-1382, 2021 | 81 | 2021 |
Open chemoinformatic resources to explore the structure, properties and chemical space of molecules M González-Medina, JJ Naveja, N Sánchez-Cruz, JL Medina-Franco RSC advances 7 (85), 54153-54163, 2017 | 55 | 2017 |
Lessons from exploring chemical space and chemical diversity of propolis components TD Tran, SM Ogbourne, PR Brooks, N Sánchez-Cruz, JL Medina-Franco, ... International journal of molecular sciences 21 (14), 4988, 2020 | 50 | 2020 |
Inhibitors of DNA methyltransferases from natural sources: A computational perspective FI Saldívar-González, A Gómez-García, DE Chavez-Ponce de Leon, ... Frontiers in pharmacology 9, 1144, 2018 | 46 | 2018 |
Recent progress on cheminformatics approaches to epigenetic drug discovery Z Sessions, N Sánchez-Cruz, FD Prieto-Martínez, VM Alves, HP Santos Jr, ... Drug Discovery Today 25 (12), 2268-2276, 2020 | 44 | 2020 |
Progress on open chemoinformatic tools for expanding and exploring the chemical space JL Medina-Franco, N Sánchez-Cruz, E López-López, BI Díaz-Eufracio Journal of Computer-Aided Molecular Design 36 (5), 341-354, 2022 | 41 | 2022 |
Functional group and diversity analysis of BIOFACQUIM: A Mexican natural product database N Sánchez-Cruz, BA Pilón-Jiménez, JL Medina-Franco F1000Research 8, 2019 | 33 | 2019 |
Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease MG Santibáñez-Morán, E López-López, FD Prieto-Martínez, ... RSC advances 10 (42), 25089-25099, 2020 | 32 | 2020 |
A fragment library of natural products and its comparative chemoinformatic characterization AL Chávez‐Hernández, N Sánchez‐Cruz, JL Medina‐Franco Molecular informatics 39 (11), 2000050, 2020 | 30 | 2020 |
Fragment library of natural products and compound databases for drug discovery AL Chávez-Hernández, N Sánchez-Cruz, JL Medina-Franco Biomolecules 10 (11), 1518, 2020 | 24 | 2020 |
Epigenetic target fishing with accurate machine learning models N Sanchez-Cruz, JL Medina-Franco Journal of Medicinal Chemistry 64 (12), 8208-8220, 2021 | 22 | 2021 |
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds J Bajorath, AL Chávez-Hernández, M Duran-Frigola, ... Journal of Cheminformatics 14 (1), 82, 2022 | 21 | 2022 |
Epigenetic target profiler: a web server to predict epigenetic targets of small molecules N Sánchez-Cruz, JL Medina-Franco Journal of Chemical Information and Modeling 61 (4), 1550-1554, 2021 | 19 | 2021 |
Expanding the structural diversity of DNA methyltransferase inhibitors KE Juárez-Mercado, FD Prieto-Martínez, N Sánchez-Cruz, ... Pharmaceuticals 14 (1), 17, 2020 | 19* | 2020 |
Statistical-based database fingerprint: chemical space dependent representation of compound databases N Sánchez-Cruz, JL Medina-Franco Journal of cheminformatics 10, 1-13, 2018 | 11 | 2018 |
Cheminformatics approaches to study drug polypharmacology JJ Naveja, FI Saldívar-González, N Sánchez-Cruz, JL Medina-Franco Multi-target drug design using chem-bioinformatic approaches, 3-25, 2019 | 7 | 2019 |
Cheminformatics analysis of molecular datasets of transcription factors associated with quorum sensing in Pseudomonas aeruginosa F Victoria-Muñoz, N Sánchez-Cruz, JL Medina-Franco, F Lopez-Vallejo RSC advances 12 (11), 6783-6790, 2022 | 6 | 2022 |
Deep graph learning in molecular docking: Advances and opportunities N Sánchez-Cruz Artificial Intelligence in the Life Sciences 3, 100062, 2023 | 4 | 2023 |
Experimental Uncertainty in Training Data for Protein-Ligand Binding Affinity Prediction Models CA Hernández-Garrido, N Sánchez-Cruz Artificial Intelligence in the Life Sciences 4, 100087, 2023 | 1 | 2023 |
Computational chemogenomics: In silico tools in pharmacological research and drug discovery N Sánchez-Cruz, E Fernandez-de Gortari, JL Medina-Franco Frontiers in Pharmacology 14, 1150869, 2023 | 1 | 2023 |