Research map: Regulatory-relevant QSAR–qRA modeling framework for mechanistic and predictive assessment of PPARγ inhibitory activity

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  1. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings · Christopher A. Lipinski · 2012 · 3766 citations · Cited by this paper
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  22. Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological, and Valence State Information · Lowell H. Hall · 1995 · 788 citations · Cited by this paper
  23. A Comparison of Physiochemical Property Profiles of Development and Marketed Oral Drugs · Mark C. Wenlock · 2003 · 546 citations · Cited by this paper
  24. Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors · H. Eric Xu · 2001 · 539 citations · Cited by this paper
  25. Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection · Nicola Chirico · 2012 · 537 citations · Cited by this paper
  26. Corepressors selectively control the transcriptional activity of PPARγ in adipocytes · Hong-Ping Guan · 2005 · 292 citations · Cited by this paper
  27. Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection · Alexander Golbraikh · 2000 · 254 citations · Cited by this paper
  28. Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection · Probir Kumar Ojha · 2011 · 251 citations · Cited by this paper
  29. CUTOFF THRESHOLD OF VARIABLE IMPORTANCE IN PROJECTION FOR VARIABLE SELECTION · Noppamas Akarachantachote · 2014 · 241 citations · Cited by this paper
  30. “NanoBRIDGES” software: Open access tools to perform QSAR and nano-QSAR modeling · Pravin Sundarao Ambure · 2015 · 213 citations · Cited by this paper
  31. PPAR agonists: multimodal drugs for the treatment of type-2 diabetes · Barbara S. Gross · 2007 · 187 citations · Cited by this paper
  32. Combining IC 50 or K i Values from Different Sources Is a Source of Significant Noise · Gregory A. Landrum · 2024 · 171 citations · Cited by this paper
  33. Endocrine Disruption of Androgenic Activity by Perfluoroalkyl Substances: Clinical and Experimental Evidence · Andrea Di Nisio · 2018 · 166 citations · Cited by this paper
  34. Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors · Raghu R.V. Malapaka · 2011 · 163 citations · Cited by this paper
  35. First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability · Arkaprava Banerjee · 2022 · 151 citations · Cited by this paper
  36. Nanomaterials: a review of emerging contaminants with potential health or environmental impact · Amer S. El‐Kalliny · 2023 · 142 citations · Cited by this paper
  37. Chemometrics tools in QSAR/QSPR studies: A historical perspective · Saeed Yousefinejad · 2015 · 141 citations · Cited by this paper
  38. The Opportunities and Challenges of Peroxisome Proliferator-Activated Receptors Ligands in Clinical Drug Discovery and Development · Fan Hong · 2018 · 141 citations · Cited by this paper
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