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A Simple and Readily Integratable Approach to Toxicity Prediction
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Incidence of Adverse Drug Events and Potential Adverse Drug Events
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Incidence of adverse drug events and potential adverse drug events. Implications for prevention. ADE Prevention Study Group
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A New Highly Specific Method for Predicting the Carcinogenic Potential of Pharmaceuticals in Rodents Using EnhancedMCASEQSAR-ES Software
inferredcites →https://doi.org/10.1007/bf01715525openalex-snapshot
Assessing the ability of chemical similarity measures to discriminate between active and inactive compounds
inferredcites →https://doi.org/10.1016/0009-9236(95)90066-7openalex-snapshot
Success rates for new drugs entering clinical testing in the United States
inferredcites →https://doi.org/10.1016/0045-6535(95)00119-sopenalex-snapshot
Assessment of developmental toxicity potential of chemicals by quantitative structure-toxicity relationship models
inferredcites →https://doi.org/10.1016/0165-1161(85)90003-2openalex-snapshot
Structure-genotoxic activity relationships of pesticides: comparison of the results from several short-term assays
inferredcites →https://doi.org/10.1016/0300-483x(95)03190-qopenalex-snapshot
Computer prediction of possible toxic action from chemical structure: an update on the DEREK system
inferredcites →https://doi.org/10.1016/s0169-409x(00)00129-0openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
inferredcites →https://doi.org/10.1016/s0169-409x(02)00008-xopenalex-snapshot
Prediction of drug solubility from structure
inferredcites →https://doi.org/10.1016/s0378-4274(98)00257-4openalex-snapshot
Commercial toxicology prediction systems: a regulatory perspective
inferredcites →https://doi.org/10.1016/s1359-6446(00)01559-2openalex-snapshot
Predicting human safety: screening and computational approaches
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
inferredcites →https://doi.org/10.1021/ci9700790openalex-snapshot
The MultiCASE Program II. Baseline Activity Identification Algorithm (BAIA)
inferredcites →https://doi.org/10.1021/jm000942eopenalex-snapshot
Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
inferredcites →https://doi.org/10.1021/jm020155copenalex-snapshot
Do Structurally Similar Molecules Have Similar Biological Activity?
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1080/10629369908039182openalex-snapshot
Knowledge-Based Expert Systems for Toxicity and Metabolism Prediction: DEREK, StAR and METEOR
inferredcites →https://doi.org/10.1097/00000542-195905000-00030openalex-snapshot
The Evaluation of Drug Toxicity
inferredcites →https://doi.org/10.1111/j.1365-2125.1988.tb03318.xopenalex-snapshot
Pharmaceutical innovation by the seven UK‐owned pharmaceutical companies (1964‐1985).
inferredcites →https://doi.org/10.1177/096032719101000405openalex-snapshot
Computer Prediction of Possible Toxic Action from Chemical Structure; The DEREK System
inferredcites →https://doi.org/10.1289/ehp.8561269openalex-snapshot
Predicting Toxicity through a Computer Automated Structure Evaluation Program
inferredcites →https://doi.org/10.2165/00019053-200220003-00001openalex-snapshot
The Value of Improving the Productivity of the Drug Development Process
inferredcites →https://doi.org/10.2174/1568026013394949openalex-snapshot
The New Pre-Preclinical Paradigm: Compound Optimization in Early and Late Phase Drug Discovery
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.200351223openalex-snapshot
A Simple and Readily Integratable Approach to Toxicity Prediction.
inferred← citeshttps://doi.org/10.1002/minf.200900040openalex-snapshot
Forecasting CYP2D6 and CYP3A4 Risk with a Global/Local Fusion Model of CYP450 Inhibition
inferred← citeshttps://doi.org/10.1007/s10910-005-9035-zopenalex-snapshot
An overlooked property of plot methods
inferred← citeshttps://doi.org/10.1007/s11426-007-0056-2openalex-snapshot
Constructing virtual combinatorial fragment libraries based upon MDL Drug Data Report database
inferred← citeshttps://doi.org/10.1016/j.taap.2010.04.004openalex-snapshot
Importance of structural information in predicting human acute toxicity from in vitro cytotoxicity data
inferred← citeshttps://doi.org/10.1016/s0065-7743(06)41024-1openalex-snapshot
Structure–Activity Relationships for In vitro and In vivo Toxicity
inferred← citeshttps://doi.org/10.1017/cbo9780511989421.006openalex-snapshot
Computational phenotypic assessment of small molecules in drug discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c00407openalex-snapshot
When Trees Guide Molecules: Multiobjective Search in de Novo Drug Design
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