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ADMET Evaluation in Drug Discovery. 11. PharmacoKinetics Knowledge Base (PKKB): A Comprehensive Database of Pharmacokinetic and Toxic Properties for Drugs
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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/qsar.200610093openalex-snapshot
ADMET Property Prediction: The State of the Art and Current Challenges
inferredcites →https://doi.org/10.1007/s00894-002-0101-1openalex-snapshot
ADME evaluation in drug discovery
inferredcites →https://doi.org/10.1016/0304-4076(90)90045-uopenalex-snapshot
Recent developments in DEA
inferredcites →https://doi.org/10.1016/s1359-6446(97)01099-4openalex-snapshot
Managing the drug discovery/development interface
inferredcites →https://doi.org/10.1021/ci034007mopenalex-snapshot
ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient by Atom-Additive Approach Based on Atom-Weighted Solvent Accessible Surface Areas
inferredcites →https://doi.org/10.1021/ci034134iopenalex-snapshot
ADME Evaluation in Drug Discovery. 3. Modeling Blood-Brain Barrier Partitioning Using Simple Molecular Descriptors
inferredcites →https://doi.org/10.1021/ci034184nopenalex-snapshot
ADME Evaluation in Drug Discovery. 4. Prediction of Aqueous Solubility Based on Atom Contribution Approach
inferredcites →https://doi.org/10.1021/ci040020aopenalex-snapshot
ADME Evaluation in Drug Discovery. 3. Modeling Blood-Brain Barrier Partitioning Using Simple Molecular Descriptors [J. Chem. Inf. Comput. Sci. 43, 2137−2152 (2003)]
inferredcites →https://doi.org/10.1021/ci049884mopenalex-snapshot
ADME Evaluation in Drug Discovery. 5. Correlation of Caco-2 Permeation with Simple Molecular Properties
inferredcites →https://doi.org/10.1021/ci049938sopenalex-snapshot
Some Basic Data Structures and Algorithms for Chemical Generic Programming
inferredcites →https://doi.org/10.1021/ci600343xopenalex-snapshot
ADME Evaluation in Drug Discovery. 7. Prediction of Oral Absorption by Correlation and Classification
inferredcites →https://doi.org/10.1021/ci6003515openalex-snapshot
ADME Evaluation in Drug Discovery. 6. Can Oral Bioavailability in Humans Be Effectively Predicted by Simple Molecular Property-Based Rules?
inferredcites →https://doi.org/10.1021/ci700096ropenalex-snapshot
Development of Reliable Aqueous Solubility Models and Their Application in Druglike Analysis
inferredcites →https://doi.org/10.1021/ci7002076openalex-snapshot
ADME Evaluation in Drug Discovery. 8. The Prediction of Human Intestinal Absorption by a Support Vector Machine
inferredcites →https://doi.org/10.1021/ci800406yopenalex-snapshot
Aqueous Solubility Prediction Based on Weighted Atom Type Counts and Solvent Accessible Surface Areas
inferredcites →https://doi.org/10.1021/ed100697wopenalex-snapshot
ChemSpider: An Online Chemical Information Resource
inferredcites →https://doi.org/10.1021/mp100444gopenalex-snapshot
ADME Evaluation in Drug Discovery. 9. Prediction of Oral Bioavailability in Humans Based on Molecular Properties and Structural Fingerprints
inferredcites →https://doi.org/10.1021/mp100465qopenalex-snapshot
ADME Evaluation in Drug Discovery. 10. Predictions of P-Glycoprotein Inhibitors Using Recursive Partitioning and Naive Bayesian Classification Techniques
inferredcites →https://doi.org/10.1021/mp300023xopenalex-snapshot
ADMET Evaluation in Drug Discovery. 12. Development of Binary Classification Models for Prediction of hERG Potassium Channel Blockage
inferredcites →https://doi.org/10.1038/nrd1032openalex-snapshot
ADMET in silico modelling: towards prediction paradise?
inferredcites →https://doi.org/10.1038/nrd1470openalex-snapshot
Can the pharmaceutical industry reduce attrition rates?
inferredcites →https://doi.org/10.1093/bioinformatics/btn415openalex-snapshot
PK/DB: database for pharmacokinetic properties and predictive in silico ADME models
inferredcites →https://doi.org/10.1093/nar/gkj067openalex-snapshot
DrugBank: a comprehensive resource for in silico drug discovery and exploration
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1517/17425225.3.5.635openalex-snapshot
In silicoprediction of ADMET properties: how far have we come?
inferredcites →https://doi.org/10.1517/17425255.4.6.759openalex-snapshot
Structure – ADME relationship: still a long way to go?
inferredcites →https://doi.org/10.2174/092986706778201558openalex-snapshot
Recent Advances in Computational Prediction of Drug Absorption and Permeability in Drug Discovery
inferredcites →https://doi.org/10.2174/138620711795508368openalex-snapshot
Recent Developments of In Silico Predictions of Oral Bioavailability
inferredcites →https://doi.org/10.2174/138620711795508386openalex-snapshot
Editorial [Hot topic: In Silico Predictions of ADME/T Properties: Progress and Challenges (Guest Editor: Tingjun Hou)]
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Additional file 1 of Computational determination of toxicity risks associated with a selection of approved drugs having demonstrated activity against COVID-19
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Développement d'une plateforme de prédiction in silico des propriétés ADME-Tox
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