(Q36513179)

English

Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines

scientific article published on 27 November 2012

In more languages

Statements

scholarly article

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines (English)

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

traditional Chinese medicine

0 references

object named as

Junmei Wang

6

0 references

object named as

Youyong Li

3

0 references

7

object named as

Tingjun Hou

1 reference

Europe PubMed Central

14 August 2017

PMC publication ID

1

object named as

Mingyun Shen

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

author name string

Sheng Tian

2

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

Qian Li

4

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

Xiaojie Xu

5

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

language of work or name

1 reference

based on heuristic

inferred from title

publication date

27 November 2012

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

Journal of Cheminformatics

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

4

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

1

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

31

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

copyright license

Creative Commons Attribution 2.0 Generic

27 November 2012

1 reference

April 2022 Public Data File from Crossref

copyright status

1 reference

April 2022 Public Data File from Crossref

TCM Database@Taiwan: the world's largest traditional Chinese medicine database for drug screening in silico

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Drug and drug candidate building block analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Recent developments of in silico predictions of intestinal absorption and oral bioavailability

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Molecular understanding and modern application of traditional medicines: triumphs and trials.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Natural products as sources of new drugs over the last 25 years

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Recent advances in computational prediction of drug absorption and permeability in drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

A new rapid and effective chemistry space filter in recognizing a druglike database

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Recent development and application of virtual screening in drug discovery: an overview

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

ADME evaluation in drug discovery. 3. Modeling blood-brain barrier partitioning using simple molecular descriptors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Virtual Screening on Natural Products for Discovering Active Compounds and Target Information

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Designing screens: how to make your hits a hit.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Estimation of aqueous solubility of chemical compounds using E-state indices

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Simple selection criteria for drug-like chemical matter

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Property distribution of drug-related chemical databases.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

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://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

The properties of known drugs. 1. Molecular frameworks

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

30 September 2017

Prediction of distribution coefficient from structure. 1. Estimation method.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

28 June 2018

Drug-likeness analysis of traditional Chinese medicines: prediction of drug-likeness using machine learning approaches.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

21 September 2018

A large descriptor set and a probabilistic kernel-based classifier significantly improve druglikeness classification.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

21 September 2018

A simple approach for indexing the oral druglikeness of a compound: discriminating druglike compounds from nondruglike ones.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

21 September 2018

Traditional Chinese medicine information database

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

21 September 2018

ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

21 September 2018

ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

21 September 2018

Asian medicine. The new face of traditional Chinese medicine

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

21 September 2018

A 3D structure database of components from Chinese traditional medicinal herbs

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

21 September 2018

A scoring scheme for discriminating between drugs and nondrugs.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3538521

21 September 2018

Properties of known drugs. 2. Side chains

1 reference

https://pubmed.ncbi.nlm.nih.gov/23181938

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Separating drugs from nondrugs: a statistical approach using atom pair distributions

1 reference

https://pubmed.ncbi.nlm.nih.gov/23181938

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-ADME relationship: still a long way to go?

1 reference

https://pubmed.ncbi.nlm.nih.gov/23181938

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-31

2 January 2022

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-31

2 January 2022

Identifiers

10.1186/1758-2946-4-31

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

DBLP publication ID

journals/jcheminf/ShenTLLXWH12

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

0 references

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

14 August 2017

ResearchGate publication ID

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q36513179&oldid=2198987805"