Literature DB >> 17064061

Of molecules and humans.

Johann Gasteiger1.   

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Year:  2006        PMID： 17064061     DOI： 10.1021/jm0608964

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


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  13 in total

Review 1.  Modeling chemical reactions for drug design.

Authors:  Johann Gasteiger
Journal:  J Comput Aided Mol Des       Date:  2007-01-25       Impact factor: 3.686

2.  Shaping the future of safer innovative drugs in Europe.

Authors:  Jordi Mestres; Sharon D Bryant; Ismael Zamora; Johann Gasteiger
Journal:  Nat Biotechnol       Date:  2011-09-08       Impact factor: 54.908

3.  Discriminating of ATP competitive Src kinase inhibitors and decoys using self-organizing map and support vector machine.

Authors:  Aixia Yan; Xiaoying Hu; Kai Wang; Jing Sun
Journal:  Mol Divers       Date:  2012-11-02       Impact factor: 2.943

4.  Modelling human embryoid body cell adhesion to a combinatorial library of polymer surfaces.

Authors:  V Chandana Epa; Jing Yang; Ying Mei; Andrew L Hook; Robert Langer; Daniel G Anderson; Martyn C Davies; Morgan R Alexander; David A Winkler
Journal:  J Mater Chem       Date:  2012-09-18

5.  Predicting CYP2C19 catalytic parameters for enantioselective oxidations using artificial neural networks and a chirality code.

Authors:  Jessica H Hartman; Steven D Cothren; Sun-Ha Park; Chul-Ho Yun; Jerry A Darsey; Grover P Miller
Journal:  Bioorg Med Chem       Date:  2013-04-22       Impact factor: 3.641

6.  Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors.

Authors:  Daniela Schuster; Lisa Kern; Dimitar P Hristozov; Lothar Terfloth; Bruno Bienfait; Christian Laggner; Johannes Kirchmair; Ulrike Grienke; Gerhard Wolber; Thierry Langer; Hermann Stuppner; Johann Gasteiger; Judith M Rollinger
Journal:  Comb Chem High Throughput Screen       Date:  2010-01       Impact factor: 1.339

7.  Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.

Authors:  Iurii Sushko; Sergii Novotarskyi; Robert Körner; Anil Kumar Pandey; Matthias Rupp; Wolfram Teetz; Stefan Brandmaier; Ahmed Abdelaziz; Volodymyr V Prokopenko; Vsevolod Y Tanchuk; Roberto Todeschini; Alexandre Varnek; Gilles Marcou; Peter Ertl; Vladimir Potemkin; Maria Grishina; Johann Gasteiger; Christof Schwab; Igor I Baskin; Vladimir A Palyulin; Eugene V Radchenko; William J Welsh; Vladyslav Kholodovych; Dmitriy Chekmarev; Artem Cherkasov; Joao Aires-de-Sousa; Qing-You Zhang; Andreas Bender; Florian Nigsch; Luc Patiny; Antony Williams; Valery Tkachenko; Igor V Tetko
Journal:  J Comput Aided Mol Des       Date:  2011-06-10       Impact factor: 3.686

8.  Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions.

Authors:  Igor V Tetko; Sergii Novotarskyi; Iurii Sushko; Vladimir Ivanov; Alexander E Petrenko; Reiner Dieden; Florence Lebon; Benoit Mathieu
Journal:  J Chem Inf Model       Date:  2013-07-15       Impact factor: 4.956

9.  Prediction of human intestinal absorption by GA feature selection and support vector machine regression.

Authors:  Aixia Yan; Zhi Wang; Zongyuan Cai
Journal:  Int J Mol Sci       Date:  2008-10-20       Impact factor: 5.923

10.  The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS.

Authors:  Igor V Tetko; Daniel M Lowe; Antony J Williams
Journal:  J Cheminform       Date:  2016-01-22       Impact factor: 5.514
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