Search Results - "Naveja, J. Jesús"

HitPickV2: a web server to predict targets of chemical compounds by Hamad, Sabri, Adornetto, Gianluca, Naveja, J Jesús, Chavan Ravindranath, Aakash, Raffler, Johannes, Campillos, Mónica

“…Abstract Motivation The identification of protein targets of novel compounds is essential to understand compounds' mechanisms of action leading to biological…”
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Finding Constellations in Chemical Space Through Core Analysis by Naveja, J Jesús, Medina-Franco, José L

“…Herein we introduce the constellation plots as a general approach that merges different and complementary molecular representations to enhance the information…”
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A general approach for retrosynthetic molecular core analysis by Naveja, J. Jesús, Pilón-Jiménez, B. Angélica, Bajorath, Jürgen, Medina-Franco, José L.

“…Scaffold analysis of compound data sets has reemerged as a chemically interpretable alternative to machine learning for chemical space and structure–activity…”
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Consistent Cell‐selective Analog Series as Constellation Luminaries in Chemical Space by Naveja, J. Jesús, Medina‐Franco, José L.

“…High‐throughput screening data of compounds consistently tested against the same panel of cell lines is a rich source of information for interrogating…”
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Chemical space, diversity and activity landscape analysis of estrogen receptor binders by Naveja, J Jesús, Norinder, Ulf, Mucs, Daniel, López-López, Edgar, Medina-Franco, Josė L

“…Understanding the structure-activity relationships (SAR) of endocrine-disrupting chemicals has a major importance in toxicology. Despite the fact that…”
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Open chemoinformatic resources to explore the structure, properties and chemical space of molecules by González-Medina, Mariana, Naveja, J. Jesús, Sánchez-Cruz, Norberto, Medina-Franco, José L

“…New technologies are shaping the way drug discovery data is analyzed and shared. Open data initiatives and web servers are assisting the analysis of the large…”
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Specialty choice determinants among Mexican medical students: a cross-sectional study by Gutiérrez-Cirlos, Carlos, Naveja, J Jesús, García-Minjares, Manuel, Martínez-González, Adrián, Sánchez-Mendiola, Melchor

“…The choice of medical specialty is related to multiple factors, students' values, and specialty perceptions. Research in this area is needed in low- and…”
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Analysis of a large food chemical database: chemical space, diversity, and complexity [version 1; peer review: 2 approved, 1 approved with reservations] by Naveja, J. Jesús, Rico-Hidalgo, Mariel P, Medina-Franco, José L

“…Background: Food chemicals are a cornerstone in the food industry. However, its chemical diversity has been explored on a limited basis, for instance, previous…”
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Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery by Naveja, J Jesús, Medina-Franco, José L

“…Activity landscapes are valuable tools for exploring systematically the structure-activity relationships (SAR) of chemical databases. Their application to…”
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Chemoinformatics: a perspective from an academic setting in Latin America by Naveja, J. Jesús, Oviedo-Osornio, C. Iluhí, Trujillo-Minero, Nicole N., Medina-Franco, José L.

“…This perspective discusses the current progress of a chemoinformatics group in a major university in Latin America. Three major aspects are discussed in a…”
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ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds [version 2; peer review: 3 approved with reservations] by Naveja, J. Jesús, Medina-Franco, José L

“…We present a novel approach called ChemMaps for visualizing chemical space based on the similarity matrix of compound datasets generated with molecular…”
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Predicting Mortality Due to SARS-CoV-2: A Mechanistic Score Relating Obesity and Diabetes to COVID-19 Outcomes in Mexico by Bello-Chavolla, Omar Yaxmehen, Bahena-López, Jessica Paola, Antonio-Villa, Neftali Eduardo, Vargas-Vázquez, Arsenio, González-Díaz, Armando, Márquez-Salinas, Alejandro, Fermín-Martínez, Carlos A, Naveja, J Jesús, Aguilar-Salinas, Carlos A

“…Abstract Background The SARS-CoV-2 outbreak poses a challenge to health care systems due to its high complication rates in patients with cardiometabolic…”
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ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds by Naveja, J Jesús, Medina-Franco, José L

“…We present a novel approach called ChemMaps for visualizing chemical space based on the similarity matrix of compound datasets generated with molecular…”
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Analysis of a large food chemical database: chemical space, diversity, and complexity [version 2; peer review: 3 approved] by Naveja, J. Jesús, Rico-Hidalgo, Mariel P, Medina-Franco, José L

“…Background: Food chemicals are a cornerstone in the food industry. However, its chemical diversity has been explored on a limited basis, for instance, previous…”
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DataWarrior: an evaluation of the open-source drug discovery tool by López-López, Edgar, Naveja, J Jesús, Medina-Franco, José L

“…DataWarrior is open and interactive software for data analysis and visualization that integrates well-established and novel chemoinformatics algorithms in a…”
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Reaching for the bright StARs in chemical space by Medina-Franco, José L., Naveja, J. Jesús, López-López, Edgar

“…•StAR/SmARt is at the interface of chemical space, and activity landscape modeling.•Data visualization and its interpretation depends on molecular…”
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Insights from pharmacological similarity of epigenetic targets in epipolypharmacology by Naveja, J. Jesús, Medina-Franco, José L.

“…[Display omitted] •Associations among epigenetic targets may led to polypharmacological drugs.•A unique database with molecules from 52 epigenetic targets was…”
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Systematic Extraction of Analogue Series from Large Compound Collections Using a New Computational Compound–Core Relationship Method by Naveja, J. Jesús, Vogt, Martin, Stumpfe, Dagmar, Medina-Franco, José L, Bajorath, Jürgen

“…Chemical optimization of organic compounds produces a series of analogues. In addition to considering an analogue series (AS) or multiple series on a…”
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Exploration of Target Synergy in Cancer Treatment by Cell-Based Screening Assay and Network Propagation Analysis by Naveja, J. Jesús, Stumpfe, Dagmar, Medina-Franco, José L, Bajorath, Jürgen

“…Computational approaches have previously been introduced to predict compounds with activity against multiple targets or compound combinations with synergistic…”
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WIP1 Contributes to the Adaptation of Fanconi Anemia Cells to DNA Damage as Determined by the Regulatory Network of the Fanconi Anemia and Checkpoint Recovery Pathways by Rodríguez, Alfredo, Naveja, J Jesús, Torres, Leda, García de Teresa, Benilde, Juárez-Figueroa, Ulises, Ayala-Zambrano, Cecilia, Azpeitia, Eugenio, Mendoza, Luis, Frías, Sara

“…DNA damage adaptation (DDA) allows the division of cells with unrepaired DNA damage. DNA repair deficient cells might take advantage of DDA to survive. The…”
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