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References from ROBUSTNESS IN EXPERIMENTAL DESIGN: A STUDY ON THE RELIABILITY OF SELECTION APPROACHES. Local targets link to admitted publications; unresolved targets remain external evidence.
Regulation (EC) No 1907/2006 of the European Parliament and of the Council of 18 December 2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), establishing a European Chemicals Agency, amending Directive 1999/45/EC and repealing Council Regulation (EEC) No 793/93 and Commission Regulation (EC) No 1488/94 as well as Council Directive 76/769/EEC and Commission Directives 91/155/EEC, 93/67/EEC, 93/105/EC and 2000/21/EC
2006 · External reference
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The Use of (Q)SAR Methods in the Context of REACH
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The chemical and environmental property space of REACH chemicals
10.1016/j.chemosphere.2012.02.034 · 2012 · External reference
10.1038/nature03197
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10.1016/j.atmosenv.2005.01.007
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Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals
10.1021/ci00023a009 · 1995 · External reference
Definition of an Optimal Subset of Organic Substituents. Interactive Visual Comparison of Various Selection Algorithms
1999 · External reference
Representative subset selection
10.1016/s0003-2670(02)00651-7 · 2002 · External reference
Multivariate design and modeling in QSAR
10.1016/0169-7439(96)00023-8 · 1996 · External reference
The utility of multivariate design in PLS modeling
10.1002/cem.861 · 2004 · External reference
D-optimal designs
10.1016/0169-7439(94)00076-x · 1995 · External reference
10.1080/00401706.1969.10490666
10.1080/00401706.1969.10490666 · External reference
Parameter Based Methods for Compound Selection from Chemical Databases
10.1002/qsar.19960150402 · 1996 · External reference
Experimental design and optimization
10.1016/s0169-7439(98)00065-3 · 1998 · External reference
Partition-based selection
1997 · External reference
A Novel Approach Using Hierarchical Clustering To Select Industrial Chemicals for Environmental Impact Assessment
10.1021/ci9003255 · 2010 · External reference
PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables
10.1021/ci3000198 · 2012 · External reference
Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic Tools
10.1002/minf.201000077 · 2011 · External reference
Unresolved reference
External reference
Molecular topology/fragment contribution method for predicting soil sorption coefficients
10.1021/es00032a011 · 1992 · External reference
Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (Pimephales promelas)
10.1002/etc.5620160514 · 1997 · External reference
Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program
10.1021/ci025515j · 2002 · External reference
Large-Scale Evaluation of log P Predictors: Local Corrections May Compensate Insufficient Accuracy and Need of Experimentally Testing Every Other Compound
10.1002/cbdv.200900075 · 2009 · External reference
An Electrotopological-State Index for Atoms in Molecules
10.1023/a:1015952613760 · 1990 · External reference
10.1021/ci00028a014
10.1021/ci00028a014 · External reference
10.1007/s10822-011-9440-2
10.1007/s10822-011-9440-2 · External reference
ISIDA – Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors
10.2174/157340908785747465 · 2008 · External reference
Dragon software: An easy approach to molecular descriptor calculations
2006 · External reference
D-Optimal Designs in QSAR
10.1002/qsar.19930120302 · 1993 · External reference
Optimal nonlinear Bayesian experimental design: an application to amplitude versus offset experiments
10.1046/j.1365-246x.2003.02048.x · 2003 · External reference
Unresolved reference
1972 · External reference
An evaluation of experimental design in QSAR modelling utilizing the k-medoid clustering
10.1002/cem.2459 · 2012 · External reference
PLS-regression: a basic tool of chemometrics
10.1016/s0169-7439(01)00155-1 · 2001 · External reference
Information theory, distance matrix, and molecular branching
1977 · External reference
Comparative study of molecular descriptors derived from the distance matrix
10.1021/ci00005a005 · 1992 · External reference
From Descriptors to Predicted Properties: Experimental Design by Using Applicability Domain Estimation
10.1177/026119291304100106 · 2013 · External reference
Testing costs and testing capacity according to the REACH requirements: results of a survey of independent and corporate GLP laboratories in the EU and Switzerland
2007 · External reference
Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression
2004 · External reference
A Comparison of Methods for Modeling Quantitative Structure-Activity Relationships
10.1021/jm0497141 · 2004 · External reference
A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition
10.1021/ci200091h · 2011 · External reference
10.1109/anziis.1994.396988
10.1109/anziis.1994.396988 · External reference
