Chemistry in Times of Artificial Intelligence von Gasteiger, Johann

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Chemoinformatics: Achievements and Challenges, a Personal View von Gasteiger, Johann

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[Special Issue for Honor Award dedicating to Prof Kimito Funatsu]Kimito Funatsu – The Driving Force of Chemoinformatics in Japan von Gasteiger, Johann

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Structure and reaction based evaluation of synthetic accessibility von Boda, Krisztina, Seidel, Thomas, Gasteiger, Johann

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New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling von Yang, Chihae, Tarkhov, Aleksey, Marusczyk, Jörg, Bienfait, Bruno, Gasteiger, Johann, Kleinoeder, Thomas, Magdziarz, Tomasz, Sacher, Oliver, Schwab, Christof H, Schwoebel, Johannes, Terfloth, Lothar, Arvidson, Kirk, Richard, Ann, Worth, Andrew, Rathman, James

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Review of the 8th autumn school in chemoinformatics von Gasteiger, Johann

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Review of the 8 th autumn school in chemoinformatics von Gasteiger, Johann

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My 50 Years with Chemoinformatics von Gasteiger, Johann

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Virtual computational chemistry laboratory--design and description von Tetko, Igor V, Gasteiger, Johann, Todeschini, Roberto, Mauri, Andrea, Livingstone, David, Ertl, Peter, Palyulin, Vladimir A, Radchenko, Eugene V, Zefirov, Nikolay S, Makarenko, Alexander S, Tanchuk, Vsevolod Yu, Prokopenko, Volodymyr V

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Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds von 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

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Computing target complexity von Gasteiger, Johann

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Combining chemoinformatics with bioinformatics: in silico prediction of bacterial flavor-forming pathways by a chemical systems biology approach "reverse pathway engineering" von Liu, Mengjin, Bienfait, Bruno, Sacher, Oliver, Gasteiger, Johann, Siezen, Roland J, Nauta, Arjen, Geurts, Jan M W

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A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules von Brown, Nathan, McKay, Ben, Gilardoni, François, Gasteiger, Johann

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Cheminformatics: Computing target complexity von Gasteiger, Johann

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Prediction of Toxicity and Metabolism of Chemicals von Gasteiger, Johann

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From atoms and bonds to three-dimensional atomic coordinates: automatic model builders von Sadowski, Jens, Gasteiger, Johann

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Explorations into Chemical Reactions and Biochemical Pathways von Gasteiger, Johann

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Investigations of Enzyme-Catalyzed Reactions Based on Physicochemical Descriptors Applied to Hydrolases von Sacher, Oliver, Reitz, Martin, Gasteiger, Johann

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Similarity Perception of Reactions Catalyzed by Oxidoreductases and Hydrolases Using Different Classification Methods von Hu, Xiaoying, Yan, Aixia, Tan, Tianwei, Sacher, Oliver, Gasteiger, Johann

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Self-Organizing Maps for Identification of New Inhibitors of P-Glycoprotein von Kaiser, Dominik, Terfloth, Lothar, Kopp, Stephan, Schulz, Jan, de Laet, Randolf, Chiba, Peter, Ecker, Gerhard F, Gasteiger, Johann

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