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Molecular Topology Analysis of the Differences between Drugs, Clinical Candidate Compounds, and Bioactive Molecules

https://doi.org/10.1021/ci1002558
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/cmdc.200900419openalex-snapshot
Scaffold Distributions in Bioactive Molecules, Clinical Trials Compounds, and Drugs
inferredcites →https://doi.org/10.1016/j.bmcl.2009.10.068openalex-snapshot
Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds
inferredcites →https://doi.org/10.1016/j.drudis.2009.07.014openalex-snapshot
The impact of aromatic ring count on compound developability – are too many aromatic rings a liability in drug design?
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1021/cc000097lopenalex-snapshot
Scaffold Architecture and Pharmacophoric Properties of Natural Products and Trade Drugs: Application in the Design of Natural Product-Based Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci0003911openalex-snapshot
Algorithm for Naming Molecular Equivalence Classes Represented by Labeled Pseudographs
inferredcites →https://doi.org/10.1021/ci010366aopenalex-snapshot
Is There a Difference between Leads and Drugs? A Historical Perspective
inferredcites →https://doi.org/10.1021/ci025535lopenalex-snapshot
Using Molecular Equivalence Numbers To Visually Explore Structural Features that Distinguish Chemical Libraries
inferredcites →https://doi.org/10.1021/ci900398fopenalex-snapshot
Drug and Drug Candidate Building Block Analysis
inferredcites →https://doi.org/10.1021/jm021053popenalex-snapshot
A Comparison of Physiochemical Property Profiles of Development and Marketed Oral Drugs
inferredcites →https://doi.org/10.1021/jm0603825openalex-snapshot
Dependence of Molecular Properties on Proteomic Family for Marketed Oral Drugs
inferredcites →https://doi.org/10.1021/jm1008456openalex-snapshot
Investigation of the Relationship between Topology and Selectivity for Druglike Molecules
inferredcites →https://doi.org/10.1021/jm901241eopenalex-snapshot
Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1038/nrd2445openalex-snapshot
The influence of drug-like concepts on decision-making in medicinal chemistry
inferredcites →https://doi.org/10.2174/187231307779814066openalex-snapshot
Properties and Architecture of Drugs and Natural Products Revisited

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/minf.201100094openalex-snapshot
Disease‐Specific Differentiation Between Drugs and Non‐Drugs Using Principal Component Analysis of Their Molecular Descriptor Space
inferred← citeshttps://doi.org/10.1002/minf.201200054openalex-snapshot
An Investigation of the Relationship Between Molecular Topology and CYP3A4 Inhibition for Drug‐like Compounds
inferred← citeshttps://doi.org/10.1002/minf.201600131openalex-snapshot
Modeling Tanimoto Similarity Value Distributions and Predicting Search Results
inferred← citeshttps://doi.org/10.1002/minf.201800031openalex-snapshot
Development of Ligand‐based Big Data Deep Neural Network Models for Virtual Screening of Large Compound Libraries
inferred← citeshttps://doi.org/10.1016/b978-0-12-417205-0.00015-8openalex-snapshot
Compound Properties and their Influence on Drug Quality
inferred← citeshttps://doi.org/10.1016/j.cmpb.2014.08.009openalex-snapshot
Drug/nondrug classification using Support Vector Machines with various feature selection strategies
inferred← citeshttps://doi.org/10.1016/j.jmgm.2012.12.004openalex-snapshot
Investigation of the influence of molecular topology on ligand binding
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.6b00043openalex-snapshot
Improving Drug Design: An Update on Recent Applications of Efficiency Metrics, Strategies for Replacing Problematic Elements, and Compounds in Nontraditional Drug Space
inferred← citeshttps://doi.org/10.1021/ci200266dopenalex-snapshot
DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set
inferred← citeshttps://doi.org/10.1021/ci200587hopenalex-snapshot
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties
inferred← citeshttps://doi.org/10.1021/ci500542eopenalex-snapshot
Novel Scaffold Fingerprint (SFP): Applications in Scaffold Hopping and Scaffold-Based Selection of Diverse Compounds
inferred← citeshttps://doi.org/10.1038/nrd3552openalex-snapshot
The influence of the 'organizational factor' on compound quality in drug discovery
inferred← citeshttps://doi.org/10.1039/c2md00238hopenalex-snapshot
A comparative analysis of the molecular topologies for drugs, clinical candidates, natural products, human metabolites and general bioactive compounds
inferred← citeshttps://doi.org/10.1039/c2md00302copenalex-snapshot
Structural enrichment of HTS compounds from available commercial libraries
inferred← citeshttps://doi.org/10.1080/02772248.2014.961458openalex-snapshot
Rules relating hepatotoxicity with structural attributes of drugs
inferred← citeshttps://doi.org/10.1080/17460441.2018.1396314openalex-snapshot
The application of molecular topology for ulcerative colitis drug discovery
inferred← citeshttps://doi.org/10.1186/1758-2946-3-14openalex-snapshot
Analysis of in vitrobioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds
inferred← citeshttps://doi.org/10.2174/092986712800167356openalex-snapshot
Privileged Structures - Dream or Reality: Preferential Organization of Azanaphthalene Scaffold
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