(Q28710562)

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Design, synthesis, and X-ray crystallographic analysis of a novel class of HIV-1 protease inhibitors

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Linking the Resource Description Framework to cheminformatics and proteochemometrics

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Basic primitives for molecular diagram sketching

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Collaborative development of predictive toxicology applications

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

An overview of the PubChem BioAssay resource

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

ChEBI: a database and ontology for chemical entities of biological interest

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Bioclipse: an open source workbench for chemo- and bioinformatics

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

17 March 2017

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

17 March 2017

CiteULike CiTO annotations

Chemical Markup, XML, and the World Wide Web. 4. CML Schema

2022

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

AUDocker LE: A GUI for virtual screening with AUTODOCK Vina

9 May 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Mobile apps for chemistry in the world of drug discovery

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Azaxanthene based selective glucocorticoid receptor modulators: design, synthesis, and pharmacological evaluation of (S)-4-(5-(1-((1,3,4-thiadiazol-2-yl)amino)-2-methyl-1-oxopropan-2-yl)-5H-chromeno[2,3-b]pyridin-2-yl)-2-fluoro-N,N-dimethylbenzamide

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Multilevel Parallelization of AutoDock 4.2.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Chembench: a cheminformatics workbench

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Chemical Descriptors Library (CDL): a generic, open source software library for chemical informatics

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

TMACC: interpretable correlation descriptors for quantitative structure-activity relationships.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Virtual screening and fast automated docking methods.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

3-D pharmacophores in drug discovery

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Identification of common functional configurations among molecules

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

3D database searching in drug design

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261

Chemical Space: Missing Pieces in Cheminformatics

3 June 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Toward more reliable 13C and 1H chemical shift prediction: a systematic comparison of neural-network and least-squares regression based approaches.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

The Need for Systematic Naming Software Tools for Exchange of Chemical Information

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Chemical Similarity Searching

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Competitive collaboration in the pharmaceutical and biotechnology industry

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Reaching out to collaborators: crowdsourcing for pharmaceutical research.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Pioneering Use of the Cloud for Development of Collaborative Drug Discovery (CDD) Database

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Standards for Collaborative Computational Technologies for Biomedical Research

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Protein interaction sentence detection using multiple semantic kernels

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Collaborative Cheminformatics Applications

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Towards interoperable and reproducible QSAR analyses: Exchange of datasets

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Open Babel: An open chemical toolbox

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Accurate specification of molecular structures: the case for zero-order bonds and explicit hydrogen counting

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

In Silico Prediction of Cytochrome P450 2D6 and 3A4 Inhibition Using Gaussian Kernel Weightedk-Nearest Neighbor and Extended Connectivity Fingerprints, Including Structural Fragment Analysis of Inhibitors versus Noninhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200010

Empirical and DFT GIAO quantum-mechanical methods of (13)C chemical shifts prediction: competitors or collaborators?

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3503261