Discovery of Novel Histamine H4 and Serotonin Transporter Ligands Using the Topological Feature Tree Descriptor

Author:

Kiss Róbert1,Sándor Márk1,Gere Anikó1,Schmidt Éva1,Balogh György T.1,Kiss Béla1,Molnár László1,Lemmen Christian2,Keserű György M.1

Affiliation:

1. Gedeon Richter Plc, Gyömrői út 19-21, H-1103 Budapest, Hungary

2. BioSolveIT GmbH, An der Ziegelei 79, 53757 St. Augustin, Germany

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Cited by 7 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Exploration of Ultralarge Compound Collections for Drug Discovery;Journal of Chemical Information and Modeling;2022-04-14

2. Classifying Force Spectroscopy of DNA Pulling Measurements Using Supervised and Unsupervised Machine Learning Methods;Journal of Chemical Information and Modeling;2016-04-04

3. Virtual Screening;Small Molecule Medicinal Chemistry;2015-09-26

4. Many InChIs and quite some feat;Journal of Computer-Aided Molecular Design;2015-06-17

5. Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT3A, Histamine H1, and Histamine H4 Receptors;Journal of Chemical Information and Modeling;2015-04-23

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