(Q37360048)

19 August 2017

Influence relevance voting: an accurate and interpretable virtual high throughput screening method (English)

1 reference

19 August 2017

Chloé-Agathe Azencott

object named as

Chloé-Agathe Azencott

2

0 references

Pierre Baldi

6

object named as

Pierre Baldi

1 reference

19 August 2017

S Joshua Swamidass

1

1 reference

19 August 2017

Ting-Wan Lin

3

1 reference

19 August 2017

Hugo Gramajo

4

1 reference

19 August 2017

Shiou-Chuan Tsai

5

1 reference

19 August 2017

1 April 2009

1 reference

Journal of Chemical Information and Modeling

19 August 2017

1 reference

19 August 2017

49

1 reference

19 August 2017

4

1 reference

19 August 2017

756-766

1 reference

Comparative study of machine-learning and chemometric tools for analysis of in-vivo high-throughput screening data

19 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

One- to four-dimensional kernels for virtual screening and the prediction of physical, chemical, and biological properties.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Cheminformatics analysis and learning in a data pipelining environment

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

The Pharmacophore Kernel for Virtual Screening with Support Vector Machines

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

ChemDB: a public database of small molecules and related chemoinformatics resources

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

McMaster University data-mining and docking competition: computational models on the catwalk

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Graph kernels for chemical informatics

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Proteome Analyst: custom predictions with explanations in a web-based tool for high-throughput proteome annotations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Using general regression and probabilistic neural networks to predict human intestinal absorption with topological descriptors derived from two-dimensional chemical structures

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Lossless compression of chemical fingerprints using integer entropy codes improves storage and retrieval

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Support-vector-machine-based ranking significantly improves the effectiveness of similarity searching using 2D fingerprints and multiple reference compounds

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

A general regression neural network.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Gradient descent learning algorithm overview: a general dynamical systems perspective

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Managing bias in ROC curves.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Moderating the outputs of support vector machine classifiers

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Bounds and algorithms for fast exact searches of chemical fingerprints in linear and sublinear time.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Chemoinformatics-based classification of prohibited substances employed for doping in sport.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Distance based algorithms for small biomolecule classification and structural similarity search.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Assessing different classification methods for virtual screening.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Scalable partitioning and exploration of chemical spaces using geometric hashing.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Evaluating the high-throughput screening computations

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Novel variable selection quantitative structure--property relationship approach based on the k-nearest-neighbor principle

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2750043

Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings

2 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19391629

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19391629

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Analysis of the IJCNN 2007 agnostic learning vs. prior knowledge challenge

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19391629

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CI8004379

1 reference

journals/jcisd/SwamidassALGTB09

19 August 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

19 August 2017

1 reference