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P05-17 Predicting nitrosation of individual Amines in drug molecules using statistical (Q)SAR Models

Toxicology letters, 2024-09, Vol.399, p.S139-S139

2024

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P05-26 A comprehensive set of structural keys for N-Nitrosamine fingerprinting and determining surrogate relevance in Carcinogenic Potency Assessments

Toxicology letters, 2024-09, Vol.399, p.S141-S142

2024

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Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project

SAR and QSAR in environmental research, 2023-12, Vol.34 (12), p.983-1001

2023

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Improved QSAR model for cholestasis built with FDA drug label data

Toxicology letters, 2021-09, Vol.350, p.S165-S165

2021

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P05-49 External validation of alert profilers for genotoxicity hazard within the OECD Toolbox

Toxicology letters, 2024-09, Vol.399, p.S151-S151

2024

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Searching for an Enhanced Predictive Tool for Mutagenicity

SAR and QSAR in environmental research, 2004-08, Vol.15 (4), p.251-263

2004

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Does the prediction from a single (Q)SAR model based on a large comprehensive data set or the combined results from individual models each based on individual ICH S2 bacterial strains produce the better estimate of bacterial mutagenicity for ICH M7?

Toxicology letters, 2015-10, Vol.238 (2), p.S167-S167

2015

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In-Silico Screening of High Production Volume Chemicals for Mutagenicity using the mcase QSAR Expert System

SAR and QSAR in environmental research, 2003-04, Vol.14 (2), p.165-180

2003

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Case ultra: An expert system for computational toxicology with a novel approach for improving risk assessment of chemicals

Toxicology letters, 2011-08, Vol.205, p.S97-S97

2011

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ADME evaluation: 2. A computer model for the prediction of intestinal absorption in humans

European journal of pharmaceutical sciences, 2002-12, Vol.17 (4), p.253-263

2002

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Computer-assisted evaluation of anaerobic biodegradation products

Pure and applied chemistry, 1998-07, Vol.70 (7), p.1385-1394

1998

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META V. A model of photodegradation for the prediction of photoproducts of chemicals under natural-like conditions

Chemosphere (Oxford), 2001-11, Vol.45 (6), p.971-981

2001

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ESP: A Method To Predict Toxicity and Pharmacological Properties of Chemicals Using Multiple MCASE Databases

Journal of Chemical Information and Computer Sciences, 2004-03, Vol.44 (2), p.704-715

2004

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Multiple computer-automated structure evaluation study of aquatic toxicity II. Fathead minnow

Environmental toxicology and chemistry, 2000-02, Vol.19 (2), p.441-447

2000

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Multiple Computer-Automated structure evaluation program study of aquatic toxicity 1: Guppy

Environmental toxicology and chemistry, 1999-11, Vol.18 (11), p.2497-2505

1999

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Reactivity of Functionalized Phosphonates 1. Acid-Base Properties and Reactivity of Methyl Esters of Alpha-Aminophosphonic Acids

Phosphorus, sulfur, and silicon and the related elements, 2002-05, Vol.177 (5), p.1281-1289

2002

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ChemInform Abstract: Nucleoside 3′-Methylphosphonofluoridates and Nucleoside 3′- Methylfluoridophosphonothioates. New Convenient Intermediates in Large Scale Synthesis of Dinucleoside-(3′,5′)-methylphosphonates

ChemInform, 1996-04, Vol.27 (14), p.no-no

1996

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ADME evaluation

European journal of pharmaceutical sciences, 2002-12, Vol.17 (4-5), p.253-263

2002

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Multiple computer-automated structure evaluation model of the plasma protein binding affinity of diverse drugs: Hydrophobicity and solvation in drug design. Part III

Perspectives in drug discovery and design, 2000, Vol.19, p.133-155

2000

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Substituent Effects in Alpha-Amino and Hydroxyphosphonates Addition to Substituted Arylisocyanates: Theoretical Investigation

Phosphorus, sulfur, and silicon and the related elements, 1999-01, Vol.147 (1), p.365-365

1999

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P05-17 Predicting nitrosation of individual Amines in drug molecules using statistical (Q)SAR Models

P05-26 A comprehensive set of structural keys for N-Nitrosamine fingerprinting and determining surrogate relevance in Carcinogenic Potency Assessments

Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project

Improved QSAR model for cholestasis built with FDA drug label data

P05-49 External validation of alert profilers for genotoxicity hazard within the OECD Toolbox

Searching for an Enhanced Predictive Tool for Mutagenicity

Does the prediction from a single (Q)SAR model based on a large comprehensive data set or the combined results from individual models each based on individual ICH S2 bacterial strains produce the better estimate of bacterial mutagenicity for ICH M7?

In-Silico Screening of High Production Volume Chemicals for Mutagenicity using the mcase QSAR Expert System

Case ultra: An expert system for computational toxicology with a novel approach for improving risk assessment of chemicals

ADME evaluation: 2. A computer model for the prediction of intestinal absorption in humans

Computer-assisted evaluation of anaerobic biodegradation products

META V. A model of photodegradation for the prediction of photoproducts of chemicals under natural-like conditions

ESP: A Method To Predict Toxicity and Pharmacological Properties of Chemicals Using Multiple MCASE Databases

Multiple computer-automated structure evaluation study of aquatic toxicity II. Fathead minnow

Multiple Computer-Automated structure evaluation program study of aquatic toxicity 1: Guppy

Reactivity of Functionalized Phosphonates 1. Acid-Base Properties and Reactivity of Methyl Esters of Alpha-Aminophosphonic Acids

ChemInform Abstract: Nucleoside 3′-Methylphosphonofluoridates and Nucleoside 3′- Methylfluoridophosphonothioates. New Convenient Intermediates in Large Scale Synthesis of Dinucleoside-(3′,5′)-methylphosphonates

Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project

ADME evaluation

Multiple computer-automated structure evaluation model of the plasma protein binding affinity of diverse drugs: Hydrophobicity and solvation in drug design. Part III

Substituent Effects in Alpha-Amino and Hydroxyphosphonates Addition to Substituted Arylisocyanates: Theoretical Investigation

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