(Q45960622)

18 December 2017

title

Machine learning methods for property prediction in chemoinformatics: Quo Vadis? (English)

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18 December 2017

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2

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18 December 2017

author name string

Alexandre Varnek

series ordinal

1

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18 December 2017

publication date

25 May 2012

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18 December 2017

Journal of Chemical Information and Modeling

published in

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18 December 2017

volume

52

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18 December 2017

issue

6

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18 December 2017

page(s)

1413-1437

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18 December 2017

A constructive approach for discovering new drug leads: Using a kernel methodology for the inverse-QSAR problem

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Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

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13 June 2022

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QSPR Approach to Predict Nonadditive Properties of Mixtures. Application to Bubble Point Temperatures of Binary Mixtures of Liquids

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Probabilistic Substructure Mining From Small-Molecule Screens

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The One-Class Classification Approach to Data Description and to Models Applicability Domain

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Chemoinformatics as a Theoretical Chemistry Discipline

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Graph Kernels for Molecular Similarity

8 April 2023

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Visual Interpretation of Kernel-Based Prediction Models.

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QSAR applicabilty domain estimation by projection of the training set descriptor space: a review

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18 January 2024

Identifiers

DOI

10.1021/CI200409X

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18 December 2017

DBLP publication ID

journals/jcisd/VarnekB12

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DBLP Dataset 2021-01-02

28 January 2021

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18 December 2017