Quantitative estimation of pesticide-likeness for agrochemical discovery (Q27902266)

2

0 references

author name string

Ana Borota

3

0 references

Sridhar Rao Chennamaneni

4

0 references

Anil Kumar Manchala

5

0 references

Sorel Muresan

Journal of Cheminformatics

6

0 references

publication date

December 2014

0 references

published in

1 reference

Creative Commons Attribution 4.0 International

volume

6

0 references

issue

1

0 references

page(s)

42

0 references

copyright license

start time

12 September 2014

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

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=4173135

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

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

A method for selecting the bin size of a time histogram

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

The meaning and use of the area under a receiver operating characteristic (ROC) curve

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Chemical predictive modelling to improve compound quality

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

The impact of aromatic ring count on compound developability--are too many aromatic rings a liability in drug design?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

The unique role of halogen substituents in the design of modern agrochemicals

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Beyond physical properties--application of Abraham descriptors and LFER analysis in agrochemical research

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Modern agrochemical research: a missed opportunity for drug discovery?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Pursuing the leadlikeness concept in pharmaceutical research.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Molecular properties that influence the oral bioavailability of drug candidates

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Is there a difference between leads and drugs? A historical perspective

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Property distribution of drug-related chemical databases.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Quantifying the chemical beauty of drugs.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Selecting the right compounds for screening: does Lipinski's Rule of 5 for pharmaceuticals apply to agrochemicals?

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4173135

Model-free drug-likeness from fragments

2 June 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0042-6

A Comparative Study on the Constitutive Properties of Marketed Pesticides

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0042-6

Simple Method of Calculating Octanol/Water Partition Coefficient

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0042-6

Importance of Physicochemical Properties for the Design of New Pesticides

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0042-6

An introduction to ROC analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0042-6

Calculating log Poct from structures

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-014-0042-6

PLK1 inhibition exhibits strong anti-tumoral activity in CCND1-driven breast cancer metastases with acquired palbociclib resistance

2 January 2022

1 reference

14 October 2024

https://opencitations.net/index/api/v1/references/10.1186/S13321-014-0042-6

Simultaneous Optimization of Several Response Variables

1 reference

14 October 2024

https://opencitations.net/index/api/v1/references/10.1186/S13321-014-0042-6

Identifiers

DOI

10.1186/S13321-014-0042-6

0 references

DBLP publication ID

journals/jcheminf/AvramFBCMM14

1 reference

DBLP Dataset 2021-01-02