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Literature DB >> 19774591

Classification of organic molecules by molecular quantum numbers.

Kong T Nguyen¹, Lorenz C Blum, Ruud van Deursen, Jean-Louis Reymond.

Abstract

Mesh：

Substances：
Organic Chemicals
Zinc

Year: 2009 PMID： 19774591 DOI： 10.1002/cmdc.200900317

Source DB: PubMed Journal: ChemMedChem ISSN： 1860-7179 Impact factor: 3.466

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18 in total

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2. Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem.

Authors: Ruud van Deursen; Lorenz C Blum; Jean-Louis Reymond
Journal: J Comput Aided Mol Des Date: 2011-05-27 Impact factor: 3.686

3. Visualisation and subsets of the chemical universe database GDB-13 for virtual screening.

Authors: Lorenz C Blum; Ruud van Deursen; Jean-Louis Reymond
Journal: J Comput Aided Mol Des Date: 2011-05-27 Impact factor: 3.686

4. Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds.

Authors: Aaron M Virshup; Julia Contreras-García; Peter Wipf; Weitao Yang; David N Beratan
Journal: J Am Chem Soc Date: 2013-05-02 Impact factor: 15.419

5. A multi-fingerprint browser for the ZINC database.

Authors: Mahendra Awale; Jean-Louis Reymond
Journal: Nucleic Acids Res Date: 2014-04-29 Impact factor: 16.971

6. High-Throughput Measurement and Machine Learning-Based Prediction of Collision Cross Sections for Drugs and Drug Metabolites.

Authors: Dylan H Ross; Ryan P Seguin; Allison M Krinsky; Libin Xu
Journal: J Am Soc Mass Spectrom Date: 2022-05-11 Impact factor: 3.262

Review 7. Discovery of potent positive allosteric modulators of the α3β2 nicotinic acetylcholine receptor by a chemical space walk in ChEMBL.

Authors: Justus J Bürgi; Mahendra Awale; Silvan D Boss; Tifany Schaer; Fabrice Marger; Juan M Viveros-Paredes; Sonia Bertrand; Jürg Gertsch; Daniel Bertrand; Jean-Louis Reymond
Journal: ACS Chem Neurosci Date: 2014-03-04 Impact factor: 4.418