From 0d335f2d1e342616f2eed9224eb45779a65bc084 Mon Sep 17 00:00:00 2001
From: Merle Stahl <merle.stahl@studium.uni-hamburg.de>
Date: Thu, 25 Nov 2021 17:05:20 +0100
Subject: [PATCH] citations in Json_Datei
---
Output/json_text.json | 33 ++++++++++++++++++++++-----------
1 file changed, 22 insertions(+), 11 deletions(-)
diff --git a/Output/json_text.json b/Output/json_text.json
index 3846229..b664cc4 100644
--- a/Output/json_text.json
+++ b/Output/json_text.json
@@ -5,77 +5,88 @@
"author":"Emanuel S. R. Ehmki,Robert Schmidt, Farina Ohm, Matthias Rarey",
"year":"1997",
"doi": "https://doi.org/10.1021/acs.jcim.9b00249",
- "group": "input"
+ "group": "input",
+ "citations": 0
},
{
"name": "Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems ",
"author": "John A. Keith, Valentin Vassilev-Galindo, Bingqing Cheng, Stefan Chmiela, Michael Gastegger, Klaus-Robert M\u00fcller, Alexandre Tkatchenko. ",
"year":"1937",
"doi": "https://doi.org/10.1021/acs.chemrev.1c00107",
- "group": "citing"
+ "group": "citing",
+ "citations": 140
},
{
"name": "Disconnected Maximum Common Substructures under Constraints ",
"author": "Robert Schmidt, Florian Krull, Anna Lina Heinzke, Matthias Rarey. ",
"year":"1991",
"doi": "https://doi.org/10.1021/acs.jcim.0c00741",
- "group": "citing"
+ "group": "citing",
+ "citations": 300
},
{
"name": "Evolution of Novartis\u2019 Small Molecule Screening Deck Design ",
"author": "Ansgar Schuffenhauer, Nadine Schneider, Samuel Hintermann, Douglas Auld, Jutta Blank, Simona Cotesta, Caroline Engeloch, Nikolas Fechner, Christoph Gaul, Jerome Giovannoni, Johanna Jansen, John Joslin, Philipp Krastel, Eugen Lounkine, John Manchester, Lauren G. Monovich, Anna Paola Pelliccioli, Manuel Schwarze, Michael D. Shultz, Nikolaus Stiefl, Daniel K. Baeschlin. ",
"year":"2001",
"doi": "https://doi.org/10.1021/acs.jmedchem.0c01332",
- "group": "input"
+ "group": "input",
+ "citations": 250
},
{
"name": "Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms ",
"author": "Robert Schmidt, Emanuel S. R. Ehmki, Farina Ohm, Hans-Christian Ehrlich, Andriy Mashychev, Matthias Rarey. ",
"year":"2021",
"doi": "https://doi.org/10.1021/acs.jcim.9b00250",
- "group": "cited"
+ "group": "cited",
+ "citations": 130
},
{
"name": "Machine learning accelerates quantum mechanics predictions of molecular crystals ",
"author": "Yanqiang Han, Imran Ali, Zhilong Wang, Junfei Cai, Sicheng Wu, Jiequn Tang, Lin Zhang, Jiahao Ren, Rui Xiao, Qianqian Lu, Lei Hang, Hongyuan Luo, Jinjin Li. ",
"year":"2011",
"doi": "https://doi.org/10.1016/j.physrep.2021.08.002",
- "group": "cited"
+ "group": "cited",
+ "citations": 170
},
{
"name": "The Growing Importance of Chirality in 3D Chemical Space Exploration and Modern Drug Discovery Approaches for Hit-ID ",
"author": "Ilaria Proietti Silvestri, Paul J. J. Colbon. ",
"year":"2001",
"doi": "https://doi.org/10.1021/acsmedchemlett.1c00251",
- "group": "cited"
+ "group": "cited",
+ "citations": 210
},
{
"name": "Target-Based Evaluation of \u201cDrug-Like\u201d Properties and Ligand Efficiencies ",
"author": "Paul D. Leeson, A. Patricia Bento, Anna Gaulton, Anne Hersey, Emma J. Manners, Chris J. Radoux, Andrew R. Leach. ",
"year":"2003",
"doi": "https://doi.org/10.1021/acs.jmedchem.1c00416",
- "group": "cited"
+ "group": "cited",
+ "citations": 10
},
{
"name": "BonMOLi\u00e8re: Small-Sized Libraries of Readily Purchasable Compounds, Optimized to Produce Genuine Hits in Biological Screens across the Protein Space ",
"author": "Neann Mathai, Conrad Stork, Johannes Kirchmair. ",
"year":"2003",
"doi": "https://doi.org/10.3390/ijms22157773",
- "group": "cited"
+ "group": "cited",
+ "citations": 80
},
{
"name": "Accelerating high-throughput virtual screening through molecular pool-based active learning ",
"author": "David E. Graff, Eugene I. Shakhnovich, Connor W. Coley. ",
"year":"2013",
"doi": "https://doi.org/10.1039/D0SC06805E",
- "group": "cited"
+ "group": "cited",
+ "citations": 60
},
{
"name": "Compound Screening ",
"author": "Shin Numao.",
"year":"2009",
"doi": "https://doi.org/10.1016/B978-0-12-820472-6.00078-5",
- "group": "citing"
+ "group": "citing",
+ "citations": 280
}
],
"links": [
--
GitLab