Development, validation and application of in-silico methods to predict the macromolecular targets of small organic compounds von Mathai, Neann Sarah

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Similarity-Based Methods and Machine Learning Approaches for Target Prediction in Early Drug Discovery: Performance and Scope von Mathai, Neann Sarah, Kirchmair, Johannes

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Toxicity prediction using target, interactome, and pathway profiles as descriptors von Füzi, Barbara, Mathai, Neann Sarah, Kirchmair, Johannes, Ecker, Gerhard F

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BonMOLière: Small-Sized Libraries of Readily Purchasable Compounds, Optimized to Produce Genuine Hits in Biological Screens across the Protein Space von Mathai, Neann Sarah, Kirchmair, Johannes, Stork, Conrad

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Validation strategies for target prediction methods von Mathai, Neann Sarah, Chen, Ya, Kirchmair, Johannes

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Scope of 3D shape-based approaches in predicting the macromolecular targets of structurally complex small molecules including natural products and macrocyclic ligands von Chen, Ya, Mathai, Neann Sarah, Kirchmair, Johannes

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Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors von Wilm, Anke, Garcia de Lomana, Marina, Stork, Conrad, Mathai, Neann Sarah, Hirte, Steffen, Norinder, Ulf, Kühl, Jochen, Kirchmair, Johannes

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Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop von Ntie-Kang, Fidele, Telukunta, Kiran K, Fobofou, Serge A. T, Chukwudi Osamor, Victor, Egieyeh, Samuel A, Valli, Marilia, Djoumbou-Feunang, Yannick, Sorokina, Maria, Stork, Conrad, Mathai, Neann Sarah, Zierep, Paul, Chávez-Hernández, Ana L, Duran-Frigola, Miquel, Babiaka, Smith B, Tematio Fouedjou, Romuald, Eni, Donatus B, Akame, Simeon, Arreyetta-Bawak, Augustine B, Ebob, Oyere T, Metuge, Jonathan A, Bekono, Boris D, Isa, Mustafa A, Onuku, Raphael, Shadrack, Daniel M, Musyoka, Thommas M, Patil, Vaishali M, van der Hooft, Justin J. J, da Silva Bolzani, Vanderlan, Medina-Franco, José L, Kirchmair, Johannes, Weber, Tilmann, Tastan Bishop, Özlem, Medema, Marnix H, Wessjohann, Ludger A, Ludwig-Müller, Jutta

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