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CJ Willmott et al.
CLIMATE RESEARCH (2005)
Integrating high-throughput characterization into combinatorial heterogeneous catalysis: unsupervised construction of quantitative structure/property relationship models
A Corma et al.
JOURNAL OF CATALYSIS (2005)
Surface and subsurface hydrogen: Adsorption properties on transition metals and near-surface alloys
J Greeley et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Random forest classifier for remote sensing classification
M Pal
INTERNATIONAL JOURNAL OF REMOTE SENSING (2005)
Machine-learning models for combinatorial catalyst discovery
GA Landrum et al.
MEASUREMENT SCIENCE AND TECHNOLOGY (2005)
Online learning with kernels
J Kivinen et al.
IEEE TRANSACTIONS ON SIGNAL PROCESSING (2004)
Statistics review 13: Receiver operating characteristic curves
V Bewick et al.
CRITICAL CARE (2004)
Gaussian process for nonstationary time series prediction
S Brahim-Belhouari et al.
COMPUTATIONAL STATISTICS & DATA ANALYSIS (2004)
The development of descriptors for solids: Teaching catalytic intuition to a computer
C Klanner et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)
Alloy catalysts designed from first principles
J Greeley et al.
NATURE MATERIALS (2004)
Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces
JR Kitchin et al.
PHYSICAL REVIEW LETTERS (2004)
The Bronsted-Evans-Polanyi relation and the volcano curve in heterogeneous catalysis
T Bligaard et al.
JOURNAL OF CATALYSIS (2004)
Can artificial neural networks help the experimentation in catalysis?
JM Serra et al.
CATALYSIS TODAY (2003)
Kinetic interpretation of catalytic activity patterns based on theoretical chemical descriptors
H Toulhoat et al.
JOURNAL OF CATALYSIS (2003)
Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces
A Michaelides et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Topology of the pyroxenes as a function of temperature, pressure, and composition as determined from the procrystal electron density
RT Downs
AMERICAN MINERALOGIST (2003)
Support vector machine active learning with applications to text classification
S Tong et al.
JOURNAL OF MACHINE LEARNING RESEARCH (2002)
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
A Belsky et al.
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE (2002)
Stochastic gradient boosting
JH Friedman
COMPUTATIONAL STATISTICS & DATA ANALYSIS (2002)
Greedy function approximation: A gradient boosting machine
JH Friedman
ANNALS OF STATISTICS (2001)
Catalyst design by interpolation in the periodic table: Bimetallic ammonia synthesis catalysts
CJH Jacobsen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
General trends in CO dissociation on transition metal surfaces
ZP Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
The Bronsted-Evans-Polanyi relation and the volcano plot for ammonia synthesis over transition metal catalysts
A Logadottir et al.
JOURNAL OF CATALYSIS (2001)
A simple generalisation of the area under the ROC curve for multiple class classification problems
DJ Hand et al.
MACHINE LEARNING (2001)
Electronic factors governing ethylene hydrogenation and dehydrogenation activity of pseudomorphic PdML/Re(0001), PdML/Ru(0001), Pd(111), and PdML/Au(111) surfaces
V Pallassana et al.
JOURNAL OF CATALYSIS (2000)
Cross-validation methods
MW Browne
JOURNAL OF MATHEMATICAL PSYCHOLOGY (2000)