(Q36516889)

14 August 2017

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title

Molecular descriptors and methods for ligand based virtual high throughput screening in drug discovery (English)

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14 August 2017

0 references

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Alfonso Pozzan

1

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14 August 2017

publication date

1 January 2006

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Current Pharmaceutical Design

14 August 2017

published in

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14 August 2017

volume

12

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14 August 2017

issue

17

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14 August 2017

page(s)

2099-2110

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Comparison of ranking methods for virtual screening in lead-discovery programs

14 August 2017

cites work

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COCI

https://opencitations.net/index/api/v1/citations/10.1021/CI025586I

Further development of reduced graphs for identifying bioactive compounds

1 October 2024

1 reference

COCI

https://opencitations.net/index/api/v1/citations/10.1021/CI0255937

Comparison of support vector machine and artificial neural network systems for drug/nondrug classification

1 October 2024

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI0341161

Fingerprint scaling increases the probability of identifying molecules with similar activity in virtual screening calculations

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI000311T

Prediction of biological activity for high-throughput screening using binary kernel discrimination.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI000397Q

Profile scaling increases the similarity search performance of molecular fingerprints containing numerical descriptors and structural keys

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI030287U

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI025592E

Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI00053A005

Pharmacophore fingerprinting. 1. Application to QSAR and focused library design

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI980159J

Conditional probability: a new fusion method for merging disparate virtual screening results

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI034234O

Topomers: a validated protocol for their self-consistent generation

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI049961D

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI0400819

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI9903049

Implementation of a system for reagent selection and library enumeration, profiling, and design

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI9904259

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI034231B

The signature molecular descriptor. 1. Using extended valence sequences in QSAR and QSPR studies

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI020345W

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI034207Y

Data mining and machine learning techniques for the identification of mutagenicity inducing substructures and structure activity relationships of noncongeneric compounds

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI034254Q

The reduced graph descriptor in virtual screening and data-driven clustering of high-throughput screening data

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI049860F

Neighborhood behavior of in silico structural spaces with respect to in vitro activity spaces--a benchmark for neighborhood behavior assessment of different in silico similarity metrics

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI025635R

Classification of kinase inhibitors using BCUT descriptors

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI000386X

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI0302963

Design and evaluation of a molecular fingerprint involving the transformation of property descriptor values into a binary classification scheme.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI030285+

Recursive median partitioning for virtual screening of large databases.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI0203848

Identifiers

DOI

10.2174/138161206777585247

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/nwbcstvfebcmtfpusgqo4ueb3y

mapped directly with Wikidata item

30 July 2022

based on heuristic

Fatcat ID

release_nwbcstvfebcmtfpusgqo4ueb3y

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/nwbcstvfebcmtfpusgqo4ueb3y

mapped directly with Wikidata item

30 July 2022

based on heuristic

https://api.fatcat.wiki/v0/release/nwbcstvfebcmtfpusgqo4ueb3y

1 reference