Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
Bajorath, Jürgen, Chávez-Hernández, Ana L., Duran-Frigola, Miquel, Fernández-de Gortari, Eli, Gasteiger, Johann, López-López, Edgar, Maggiora, Gerald M., Medina-Franco, José L., Méndez-Lucio, Oscar, Mestres, Jordi, Miranda-Quintana, Ramón Alain, Oprea, Tudor I., Plisson, Fabien, Prieto-Martínez, Fernando D., Rodríguez-Pérez, Raquel, Rondón-Villarreal, Paola, Saldívar-Gonzalez, Fernanda I., Sánchez-Cruz, Norberto, Valli, Marilia
Published in Journal of cheminformatics (02.12.2022)
Published in Journal of cheminformatics (02.12.2022)
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Journal Article
Design of chemical space networks on the basis of Tversky similarity
Wu, Mengjun, Vogt, Martin, Maggiora, Gerald M., Bajorath, Jürgen
Published in Journal of computer-aided molecular design (01.01.2016)
Published in Journal of computer-aided molecular design (01.01.2016)
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Journal Article
Assessment of the Consistency of Medicinal Chemists in Reviewing Sets of Compounds
Lajiness, Michael S, Maggiora, Gerald M, Shanmugasundaram, Veerabahu
Published in Journal of medicinal chemistry (23.09.2004)
Published in Journal of medicinal chemistry (23.09.2004)
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Journal Article
A cell-based fascin bioassay identifies compounds with potential anti-metastasis or cognition-enhancing functions
Kraft, Robert, Kahn, Allon, Medina-Franco, José L, Orlowski, Mikayla L, Baynes, Cayla, López-Vallejo, Fabian, Barnard, Kobus, Maggiora, Gerald M, Restifo, Linda L
Published in Disease models & mechanisms (01.01.2013)
Published in Disease models & mechanisms (01.01.2013)
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Journal Article
Molecular similarity measures
Maggiora, Gerald M, Shanmugasundaram, Veerabahu
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2011)
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2011)
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Journal Article
Chemical space networks: a powerful new paradigm for the description of chemical space
Maggiora, Gerald M., Bajorath, Jürgen
Published in Journal of computer-aided molecular design (01.08.2014)
Published in Journal of computer-aided molecular design (01.08.2014)
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Journal Article
Hierarchical Strategy for Identifying Active Chemotype Classes in Compound Databases
Medina-Franco, José Luis, Petit, Joachim, Maggiora, Gerald M.
Published in Chemical biology & drug design (01.06.2006)
Published in Chemical biology & drug design (01.06.2006)
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Journal Article
Prospective Feasibility Trial for Genomics-Informed Treatment in Recurrent and Progressive Glioblastoma
Byron, Sara A, Tran, Nhan L, Halperin, Rebecca F, Phillips, Joanna J, Kuhn, John G, de Groot, John F, Colman, Howard, Ligon, Keith L, Wen, Patrick Y, Cloughesy, Timothy F, Mellinghoff, Ingo K, Butowski, Nicholas A, Taylor, Jennie W, Clarke, Jennifer L, Chang, Susan M, Berger, Mitchel S, Molinaro, Annette M, Maggiora, Gerald M, Peng, Sen, Nasser, Sara, Liang, Winnie S, Trent, Jeffrey M, Berens, Michael E, Carpten, John D, Craig, David W, Prados, Michael D
Published in Clinical cancer research (15.01.2018)
Published in Clinical cancer research (15.01.2018)
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Journal Article
Conditional Probabilities of Activity Landscape Features for Individual Compounds
Vogt, Martin, Iyer, Preeti, Maggiora, Gerald M, Bajorath, Jürgen
Published in Journal of chemical information and modeling (22.07.2013)
Published in Journal of chemical information and modeling (22.07.2013)
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Journal Article
Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account
Hu, Ye, Maggiora, Gerald M., Bajorath, Jürgen
Published in Journal of computer-aided molecular design (01.02.2013)
Published in Journal of computer-aided molecular design (01.02.2013)
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Journal Article
Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations
Yongye, Austin B, Byler, Kendall, Santos, Radleigh, Martínez-Mayorga, Karina, Maggiora, Gerald M, Medina-Franco, José L
Published in Journal of chemical information and modeling (27.06.2011)
Published in Journal of chemical information and modeling (27.06.2011)
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Journal Article