Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.

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Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.

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2013 nî lūn-bûn

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Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.

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Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.

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Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.

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Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.

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Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.

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Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.

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P1476

Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.

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P2093

Cleo Tebby

http://www.w3.org/2001/XMLSchema#string

Enrico Mombelli

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P2860

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic as

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

Navigating structure–activity landscapes

On Estimating Regression

Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs.

From activity cliffs to activity ridges: informative data structures for SAR analysis.

Searching for coordinated activity cliffs using particle swarm optimization.

P304

609-623

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P31

scholarly article

P356

10.1002/MINF.201300016

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P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Enrico Mombelli

Cleo Tebby

P577

2013-07-01T00:00:00Z

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P698

27481769

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