Reengineering the pharmaceutical industry by crash-testing molecules (Q36266998)

13 August 2017

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title

Reengineering the pharmaceutical industry by crash-testing molecules (English)

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13 August 2017

2

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13 August 2017

Peter W Swaan

1

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publication date

1 September 2005

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13 August 2017

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13 August 2017

10

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13 August 2017

17

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13 August 2017

1191-1200

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Can the pharmaceutical industry reduce attrition rates?

13 August 2017

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The emerging importance of predictive ADME simulation in drug discovery

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Predicting ADME properties in silico: methods and models

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In silico research in drug discovery

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A rational approach to maximize success rate in target discovery

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Predicting undesirable drug interactions with promiscuous proteins in silico

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Computational identification of proteins for selectivity assays

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Target identification and validation in drug discovery: the role of proteomics

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Progress in predicting human ADME parameters in silico

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Integration of virtual and high-throughput screening

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The impact of informatics and computational chemistry on synthesis and screening

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Prediction of drug absorption using multivariate statistics

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CoMFA and homology-based models of the glycine binding site of N-methyl-d-aspartate receptor

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Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling.

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Identification of compounds with nanomolar binding affinity for checkpoint kinase-1 using knowledge-based virtual screening.

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RECAP--retrosynthetic combinatorial analysis procedure: a powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry

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A new approach to finding natural chemical structure classes

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Bioisosterism: A Rational Approach in Drug Design

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Functional group contributions to drug-receptor interactions.

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High-throughput crystallography for lead discovery in drug design.

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Recent developments in the PHENIX software for automated crystallographic structure determination

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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Molecular properties that influence the oral bioavailability of drug candidates

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Prediction of 'drug-likeness'.

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A comparison of physiochemical property profiles of development and marketed oral drugs

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Characteristic physical properties and structural fragments of marketed oral drugs.

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In silico prediction of ADME and pharmacokinetics. Report of an expert meeting organised by COST B15.

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Computer systems for the prediction of toxicity: an update

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Ferguson's principle and the prediction of fatal drug levels in blood

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QSAR Approach to Estimation of the Distribution of Xenobiotics and the Target Organ in the Body

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Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices

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Use of molecular topology for the prediction of physico-chemical, pharmacokinetic and toxicological properties of a group of antihistaminic drugs.

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Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel

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Data-driven computer simulation of human cancer cell

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Preformulation studies and characterization of the physicochemical properties of amorphous polymers using artificial neural networks.

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Quantitative structure-pharmacokinetic relationships (QSPR) of beta blockers derived using neural networks.

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Validation of the Archimedes Diabetes Model

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Archimedes: a trial-validated model of diabetes

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Decision-theoretic designs for pre-phase II screening trials in oncology

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Clinical-pharmacological strategies to assess drug interaction potential during drug development

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7 January 2021

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Identifiers

DOI

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13 August 2017

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PubMed ID

16182212