Informatics for Chemistry, Biology, and Biomedical Sciences
López-López, Edgar, Bajorath, Jürgen, Medina-Franco, José L
Published in Journal of chemical information and modeling (25.01.2021)
Published in Journal of chemical information and modeling (25.01.2021)
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Journal Article
Chemical Multiverse: An Expanded View of Chemical Space
Medina‐Franco, José L., Chávez‐Hernández, Ana L., López‐López, Edgar, Saldívar‐González, Fernanda I.
Published in Molecular informatics (01.11.2022)
Published in Molecular informatics (01.11.2022)
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Journal Article
Yes SIR! On the structure–inactivity relationships in drug discovery
López-López, Edgar, Fernández-de Gortari, Eli, Medina-Franco, José L.
Published in Drug discovery today (01.08.2022)
Published in Drug discovery today (01.08.2022)
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Journal Article
DataWarrior: an evaluation of the open-source drug discovery tool
López-López, Edgar, Naveja, J Jesús, Medina-Franco, José L
Published in Expert opinion on drug discovery (03.04.2019)
Published in Expert opinion on drug discovery (03.04.2019)
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Journal Article
Consensus Virtual Screening Protocol Towards the Identification of Small Molecules Interacting with the Colchicine Binding Site of the Tubulin‐microtubule System
López‐López, Edgar, Cerda‐García‐Rojas, Carlos M., Medina‐Franco, José L.
Published in Molecular informatics (01.01.2023)
Published in Molecular informatics (01.01.2023)
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Journal Article
Reaching for the bright StARs in chemical space
Medina-Franco, José L., Naveja, J. Jesús, López-López, Edgar
Published in Drug discovery today (01.11.2019)
Published in Drug discovery today (01.11.2019)
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Journal Article
Bridging informatics and medicinal inorganic chemistry: Toward a database of metallodrugs and metallodrug candidates
Medina-Franco, José L., López-López, Edgar, Andrade, Emma, Ruiz-Azuara, Lena, Frei, Angelo, Guan, Davy, Zuegg, Johannes, Blaskovich, Mark A.T.
Published in Drug discovery today (01.05.2022)
Published in Drug discovery today (01.05.2022)
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Journal Article
Sampling and Mapping Chemical Space with Extended Similarity Indices
López-Pérez, Kenneth, López-López, Edgar, Medina-Franco, José L, Miranda-Quintana, Ramón Alain
Published in Molecules (Basel, Switzerland) (30.08.2023)
Published in Molecules (Basel, Switzerland) (30.08.2023)
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Journal Article
Tubulin Inhibitors: A Chemoinformatic Analysis Using Cell-Based Data
López-López, Edgar, Cerda-García-Rojas, Carlos M, Medina-Franco, José L
Published in Molecules (Basel, Switzerland) (24.04.2021)
Published in Molecules (Basel, Switzerland) (24.04.2021)
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Journal Article
Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease
Santibáñez-Morán, Marisa G, López-López, Edgar, Prieto-Martínez, Fernando D, Sánchez-Cruz, Norberto, Medina-Franco, José L
Published in RSC Advances (01.07.2020)
Published in RSC Advances (01.07.2020)
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Journal Article
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