A matched molecular pair (MMP) approach for selecting analogs suitable for structure activity relationship (SAR)-based read across

Structure activity relationship (SAR) toxicological assessments: The role of expert judgment

(2018) Cathy Lester et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Structural and functional pharmacokinetic analogs for physiologically based pharmacokinetic (PBPK) model evaluation

(2018) Corie A. Ellison   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)

(2017) Christian Kramer et al.   JOURNAL OF MEDICINAL CHEMISTRY

p-Alkyl-Benzoyl-CoA Conjugates as Relevant Metabolites of Aromatic Aldehydes With Rat Testicular Toxicity—Studies Leading to the Design of a Safer New Fragrance Chemical

(2017) Heike Laue et al.   TOXICOLOGICAL SCIENCES

Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

(2017) Christian Tyrchan et al.   Computational and Structural Biotechnology Journal

Quinone Methide Bioactivation Pathway: Contribution to Toxicity and/or Cytoprotection?

(2014) Judy Bolton   CURRENT ORGANIC CHEMISTRY

A framework to facilitate consistent characterization of read across uncertainty

(2014) Karen Blackburn et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Framework for Identifying Chemicals with Structural Features Associated with the Potential to Act as Developmental or Reproductive Toxicants

(2013) Shengde Wu et al.   CHEMICAL RESEARCH IN TOXICOLOGY

MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs

(2012) Xiaoying Hu et al.   Journal of Chemical Information and Modeling

Case studies to test: A framework for using structural, reactivity, metabolic and physicochemical similarity to evaluate the suitability of analogs for SAR-based toxicological assessments

(2011) Karen Blackburn et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

WizePairZ: A Novel Algorithm to Identify, Encode, and Exploit Matched Molecular Pairs with Unspecified Cores in Medicinal Chemistry

(2010) Daniel J. Warner et al.   Journal of Chemical Information and Modeling

Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets

(2010) Jameed Hussain et al.   Journal of Chemical Information and Modeling

A framework for using structural, reactivity, metabolic and physicochemical similarity to evaluate the suitability of analogs for SAR-based toxicological assessments

(2009) Shengde Wu et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Bioavailability of veterinary drugsin vivoandin silico

(2008) T. GRABOWSKI et al.   JOURNAL OF VETERINARY PHARMACOLOGY AND THERAPEUTICS