Visual and computational analysis of structure--activity relationships in high-throughput screening data. (Q30657196)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11470601%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

review article

1 reference

title

Visual and computational analysis of structure--activity relationships in high-throughput screening data (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11470601%20AND%20SRC:MED&resulttype=core&format=json

high-throughput screening

9 November 2019

main subject

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11470601%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

P Willett

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11470601%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

publication date

1 August 2001

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11470601%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

number of pages

1 reference

Current Opinion in Chemical Biology

inferred from page(s)

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11470601%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

volume

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11470601%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

issue

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11470601%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

page(s)

389-395

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11470601%20AND%20SRC:MED&resulttype=core&format=json

Recent applications of polymer-supported reagents and scavengers in combinatorial, parallel, or multistep synthesis

9 November 2019

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Immobilized catalysts in combinatorial chemistry

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

High-throughput screening: new technology for the 21st century

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Visualization of data

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Visual exploration of HTS databases: bridging the gap between chemistry and biology

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Molecular Diversity and Representativity in Chemical Databases

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Application of Kohonen Neural Networks in classification of biologically active compounds

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Hybrid systems for virtual screening: interest of fuzzy clustering applied to olfaction.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Visualizing substructural fingerprints

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

An efficient projection protocol for chemical databases: singular value decomposition combined with truncated-newton minimization

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Nonlinear mapping networks.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Improved multidimensional scaling analysis using neural networks with distance-error backpropagation.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

LeadScope: software for exploring large sets of screening data

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Properties of known drugs. 2. Side chains

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Toward designing drug-like libraries: a novel computational approach for prediction of drug feasibility of compounds

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Identification of biological activity profiles using substructural analysis and genetic algorithms.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Beyond mere diversity: tailoring combinatorial libraries for drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Drug-like index: a new approach to measure drug-like compounds and their diversity

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Combinatorial library design for diversity, cost efficiency, and drug-like character

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Property distribution of drug-related chemical databases.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Binary quantitative structure-activity relationship (QSAR) analysis of estrogen receptor ligands

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Bit-String Methods for Selective Compound Acquisition

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Strategic Pooling of Compounds for High-Throughput Screening

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Can we learn to distinguish between "drug-like" and "nondrug-like" molecules?

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

A scoring scheme for discriminating between drugs and nondrugs.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Improving the odds in discriminating "drug-like" from "non drug-like" compounds.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Potential drugs and nondrugs: prediction and identification of important structural features

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Analysis of a large structure/biological activity data set using recursive partitioning

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Automated pharmacophore identification for large chemical data sets

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Binary formal inference-based recursive modeling using multiple atom and physicochemical property class pair and torsion descriptors as decision criteria

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Results of a new classification algorithm combining K nearest neighbors and recursive partitioning.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Use of recursive partitioning in the sequential screening of G-protein-coupled receptors

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Application of nearest-neighbor and cluster analyses in pharmaceutical lead discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

CerBeruS: a system supporting the sequential screening process

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Library design for NMR-based screening

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Designing libraries with CNS activity

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Inspiration for optimization from social insect behaviour

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

A novel method for building regression tree models for QSAR based on artificial ant colony systems

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

Mining and visualizing large anticancer drug discovery databases

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021

A gene expression database for the molecular pharmacology of cancer

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900219-2

7 January 2021