(Q33922501)

30 July 2017

Exploratory analysis of kinetic solubility measurements of a small molecule library (English)

1 reference

30 July 2017

Ajit Jadhav

4

0 references

Anton Simeonov

7

object named as

Anton Simeonov

1 reference

30 July 2017

Craig J Thomas

9

1 reference

ORCID Public Data File 2021

author name string

Rajarshi Guha

1

1 reference

30 July 2017

Thomas S Dexheimer

2

1 reference

30 July 2017

Aimee N Kestranek

3

1 reference

30 July 2017

Andrew M Chervenak

5

1 reference

30 July 2017

Michael G Ford

6

1 reference

30 July 2017

Gregory P Roth

8

1 reference

30 July 2017

language of work or name

English

0 references

publication date

13 May 2011

1 reference

Bioorganic & Medicinal Chemistry

30 July 2017

1 reference

30 July 2017

19

1 reference

30 July 2017

4127-4134

1 reference

30 July 2017

13

1 reference

Binary classification of aqueous solubility using support vector machines with reduction and recombination feature selection

30 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

In silico prediction of aqueous solubility: the solubility challenge

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

A specific mechanism for nonspecific activation in reporter-gene assays

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

Fluorescence spectroscopic profiling of compound libraries

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

Application of combinatorial chemistry science on modern drug discovery

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

High-throughput screening assays for the identification of chemical probes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

When poor solubility becomes an issue: from early stage to proof of concept

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

High throughput solubility measurement in drug discovery and development

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

Structure-brain exposure relationships

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

Quantitative high-throughput screening: a titration-based approach that efficiently identifies biological activities in large chemical libraries

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

Biological assay challenges from compound solubility: strategies for bioassay optimization

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

Nonleadlikeness and leadlikeness in biochemical screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

A consistent dataset of kinetic solubilities for early-phase drug discovery.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

The influence of drug-like concepts on decision-making in medicinal chemistry.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

A computational model for the prediction of aqueous solubility that includes crystal packing, intrinsic solubility, and ionization effects.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

A high-throughput screen for aggregation-based inhibition in a large compound library.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

ESOL: estimating aqueous solubility directly from molecular structure.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3236531

In silico prediction of drug solubility: 4. Will simple potentials suffice?

29 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21640593

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Evaluation of the chemiluminescent nitrogen detector for solubility determinations to support drug discovery

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21640593

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.BMC.2011.05.005

1 reference

30 July 2017

1 reference

30 July 2017

1 reference