Selection of appropriate training and validation set chemicals for modelling dermal permeability by U-optimal designPredicting skin permeability from complex chemical mixtures: incorporation of an expanded QSAR modelPrediction of dermal absorption from complex chemical mixtures: incorporation of vehicle effects and interactions into a QSPR frameworkA solvatochromatic approach to quantifying formulation effects on dermal permeabilityA new descriptor selection scheme for SVM in unbalanced class problem: a case study using skin sensitisation datasetA system coefficient approach for quantitative assessment of the solvent effects on membrane absorption from chemical mixturesA categorical structure-activity relationship analysis of GPR119 ligands.Predicting activities without computing descriptors: graph machines for QSARProbabilistic assessment of biodegradability based on metabolic pathways: CATABOL SystemDevelopment of an informatics infrastructure for data exchange of biomolecular simulations: Architecture, data models and ontologyAn automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modellingProtein structure prediction and biomolecular recognition: from protein sequence to peptidomimetic design with the human beta3 integrin.Structural e-bioinformatics and drug design.Molecular dynamics simulations of the enzyme catechol-O-methyltransferase: methodological issues.First report on exploring classification and regression based QSAR modelling of Plasmodium falciparum glycogen synthase kinase (PfGSK-3) inhibitors.Molecular dynamics study of prolyl oligopeptidase with inhibitor in binding cavity.Modelling inhibition of avian aromatase by azole pesticides.Improving the usefulness of molecular similarity-based chemical prioritization strategies.Prioritization of active antimalarials using structural interaction profile of Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR)-triclosan derivatives.A study of structure-carcinogenicity relationship for 86 compounds from NTP data base using topological indices as descriptors.A general 13C NMR spectrum predictor using data mining techniques.Predicting hexadecane-air equilibrium partition coefficients (L) using a group contribution approach constructed from high quality data.Evaluation criteria for the quality of published experimental data on nanomaterials and their usefulness for QSAR modelling.Integration of chemical data using XML.Typology of secondary cyanobacterial metabolites from minimum spanning tree analysis.Selection of data sets for QSARs: analyses of Tetrahymena toxicity from aromatic compounds.Predictive Array Design. A method for sampling combinatorial chemistry library space.Current situation on the availability of nanostructure-biological activity data.Zherlock: an open source data analysis software.Polynomial neural network for linear and non-linear model selection in quantitative-structure activity relationship studies on the internet.Using fragment chemistry data mining and probabilistic neural networks in screening chemicals for acute toxicity to the fathead minnow.Data mining and knowledge discovery in predictive toxicology.Qsar investigation of a large data set for fish, algae and Daphnia toxicity.Highly diverse, massive organic data as explored by a composite QSPR strategy: an advanced study of boiling point.PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach.External validation of the biodegradability prediction model CATABOL using data sets of existing and new chemicals under the Japanese Chemical Substances Control Law.Comparison of three fish bioaccumulation models for ecological and human risk assessment and validation with field data.Quantitative structure-property relationships generated with optimizable even/odd Wiener polynomial descriptors.Rapid estimation of hydrophobicity for virtual combinatorial library analysis.Recursive Partitioning analysis of mu-opiate receptor high throughput screening results.
P1433
Q23912999-26EBF5BC-BDDB-4A4A-A375-CE79C1DF674CQ23913000-FE5AA6D5-786A-47AF-95B9-C4DA27DFDD73Q23913877-55E1A034-EBC8-47B2-917C-9904B810B698Q23919860-B11ADEAD-4FC9-474F-8684-210547037900Q23920794-2E187F73-A709-4E02-AA44-58353D09E6C4Q23923862-0DFA60AA-B440-465B-BB70-15A12D491627Q27311495-EF9DABFD-3416-4026-9AB0-18261E251CAFQ28293374-63D8D140-BB4B-4F6E-BFA0-AA7202BB450FQ28531487-B8D006AA-5248-4A78-BFC1-F69C0BB99F42Q28606604-308064C3-D018-4502-80C0-FB938304191AQ30085617-C936FD7A-2337-4AA8-A6DE-A39EA63413BBQ30331577-1C6BF2DB-B149-4032-8B3A-C8638F15F30CQ30353212-7C11FB63-99F0-462F-8401-7376D801A34DQ30368011-5A3526DA-FF78-48DF-9E4B-02AEDA243B5EQ30380951-8467FBD2-2D90-426A-9677-E4D32302619FQ30383681-1B9BA13F-6434-41EF-BD6E-3665F7B44950Q30386609-B7E35BC0-7311-4517-B670-AB464FB4C570Q30456703-F963567A-6F3C-4B46-8AC2-5B23BC52D408Q30487556-5EB1CE99-2EF7-4D8F-9707-8056276D3733Q30600519-83952951-014D-461C-BDFA-12D7ACFB8054Q30610807-26815199-C96D-4372-B45A-20D6CD050D2EQ30703413-5F49DF8F-648F-426B-B79E-550FC98AA512Q30710110-C1C7BCF5-A745-4905-A57D-84B7096B87A2Q30714359-71C080A3-61AE-4841-A92F-E20BD3169341Q30763667-0CED4EEE-58BC-46B8-8675-72AAC9BC1EEAQ30784588-7020C98A-49DB-430D-BB63-9173DBB94AB6Q30843608-D8AE4BF1-9811-4BF9-B47B-AF545BDE43BAQ30885444-E7B66B22-9CF5-4B3B-A646-13ED65D00DEDQ30891825-C6C0C9B6-5364-460E-BF5F-FA047D12F3E0Q30916083-844267CF-A57B-4F70-9483-50038AD79295Q30959496-BB763B6F-AA8A-4E45-947E-8DC3E3CE309CQ30981308-D939F5F0-DA79-4BB2-B7F9-FC72838761B3Q30981310-0E1F0192-2C05-408C-B5AA-7277B32123FEQ30986297-3F283C02-E5AF-4816-8678-532B0A168C4CQ30989605-50D27C9A-4EAF-4CC8-BDD7-334826DD439CQ31016168-B2340B16-96AB-4752-BB4A-00BD0B1585A8Q31016175-02681AC7-4154-476D-A19D-6B5C8DC4063CQ31028626-7E442B91-FF73-410B-9C2F-E3B2A9E68688Q31028634-8ED3DB0A-499F-49A2-A628-7903427A34CEQ31028643-90AA70D4-4E89-455C-BB2B-1BE40940FF32
P1433
description
journal
@en
publikation
@de
revista científica
@es
rivista scientifica
@it
vědecký časopis
@cs
wetenschappelijk tijdschrift van Taylor & Francis
@nl
مجلة
@ar
वैज्ञानिक पत्रिका
@hi
英语期刊
@zh
name
S A R and Q S A R in Environmental Research
@da
SAR and QSAR in Environmental Research
@ast
SAR and QSAR in Environmental Research
@de
SAR and QSAR in Environmental Research
@en
SAR and QSAR in Environmental Research
@es
SAR and QSAR in Environmental Research
@fi
SAR and QSAR in Environmental Research
@fr
SAR and QSAR in Environmental Research
@it
SAR and QSAR in Environmental Research
@nb
SAR and QSAR in Environmental Research
@nl
type
label
S A R and Q S A R in Environmental Research
@da
SAR and QSAR in Environmental Research
@ast
SAR and QSAR in Environmental Research
@de
SAR and QSAR in Environmental Research
@en
SAR and QSAR in Environmental Research
@es
SAR and QSAR in Environmental Research
@fi
SAR and QSAR in Environmental Research
@fr
SAR and QSAR in Environmental Research
@it
SAR and QSAR in Environmental Research
@nb
SAR and QSAR in Environmental Research
@nl
prefLabel
S A R and Q S A R in Environmental Research
@da
SAR and QSAR in Environmental Research
@ast
SAR and QSAR in Environmental Research
@de
SAR and QSAR in Environmental Research
@en
SAR and QSAR in Environmental Research
@es
SAR and QSAR in Environmental Research
@fi
SAR and QSAR in Environmental Research
@fr
SAR and QSAR in Environmental Research
@it
SAR and QSAR in Environmental Research
@nb
SAR and QSAR in Environmental Research
@nl
P236
P3181
P1055
P1156
P123
P1250
P1476
SAR and QSAR in Environmental Research
@en