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26.

822
Accesses

Research article   Open Access Highly Accessed

The influence of the inactives subset generation on the performance of machine learning methods

Sabina Smusz, Rafał Kurczab, Andrzej J Bojarski Journal of Cheminformatics 2013, 5:17 (5 April 2013)

Abstract | Full text | PDF | ePUB | PubMed

27.

821
Accesses

Research article   Open Access Highly Accessed

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

Peter Ertl, Ansgar Schuffenhauer Journal of Cheminformatics 2009, 1:8 (10 June 2009)

Abstract | Full text | PDF | PubMed | Graphical abstract

28.

793
Accesses

Research article   Open Access Highly Accessed

Characterization of casein hydrolysates derived from enzymatic hydrolysis

Jinshui Wang, Yinjie Su, Feng Jia, Huali Jin Chemistry Central Journal 2013, 7:62 (4 April 2013)

Abstract | Full text | PDF | ePUB | PubMed

29.

788
Accesses

Research article   Open Access

A tandem regression-outlier analysis of a ligand cellular system for key structural modifications around ligand binding

Ying-Ting Lin Journal of Cheminformatics 2013, 5:21 (30 April 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

30.

782
Accesses

Research article   Open Access Highly Accessed

Design of optimal solvent for extraction of bio–active ingredients from six varieties of Medicago sativa

Angela Caunii, George Pribac, Ioana Grozea, Dorin Gaitin, Ionel Samfira Chemistry Central Journal 2012, 6:123 (26 October 2012)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

31.

773
Accesses

Research article   Open Access Highly Accessed

Chemo-sensors development based on low-dimensional codoped Mn2O3-ZnO nanoparticles using flat-silver electrodes

Mohammed M Rahman, George Gruner, Mohammed Saad Al-Ghamdi, Muhammed A Daous, Sher Bahadar Khan, Abdullah M Asiri Chemistry Central Journal 2013, 7:60 (28 March 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

32.

774
Accesses

Research article   Open Access

Synthesis, insecticidal, and antibacterial activities of novel neonicotinoid analogs with dihydropyridine

Yinju He, Deyu Hu, Mingming Lv, Linhong Jin, Jian Wu, Song Zeng, Song Yang, Baoan Song Chemistry Central Journal 2013, 7:76 (26 April 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

33.

770
Accesses

Software   Open Access Highly Accessed

Open Babel: An open chemical toolbox

Noel M O'Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch, Geoffrey R Hutchison Journal of Cheminformatics 2011, 3:33 (7 October 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central |  Editor’s summary | Graphical abstract

The first publication reporting the features, implementation and validation of the open source chemical toolbox - Open Babel - is described, which includes a summary of key advances in the 2.3 release

34.

770
Accesses

Research article   Open Access Highly Accessed

Synthesis and antifungal activities of novel nicotinamide derivatives containing 1,3,4-oxadiazole

Jian Wu, Shenghong Kang, Lijun Luo, Qingcai Shi, Juan Ma, Juan Yin, Baoan Song, Deyu Hu, Song Yang Chemistry Central Journal 2013, 7:64 (5 April 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

35.

768
Accesses

Research article   Open Access

The surface properties of Shewanella putrefaciens 200 and S. oneidensis MR-1: the effect of pH and terminal electron acceptors

Yoko Furukawa, Jason R Dale Geochemical Transactions 2013, 14:3 (8 April 2013)

Abstract | Full text | PDF | ePUB | PubMed

36.

755
Accesses

Research article   Open Access Highly Accessed

Multi-analyte approach for determining the extraction of tobacco constituents from pouched snus by consumers during use

Helena Digard, Nathan Gale, Graham Errington, Nicola Peters, Kevin McAdam Chemistry Central Journal 2013, 7:55 (2 April 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

37.

744
Accesses

Research article   Open Access

Non-invasive analytical techniques applied to characterize the components of ancient golden medallions

Jose L Perez-Rodriguez, María D Robador, María C Jimenez de Haro, Jose M Martinez Blanes, Isabel Garofano, Carlos Odriozola, Adrian Duran Heritage Science 2013, 1:4 (3 April 2013)

Abstract | Full text | PDF | Graphical abstract

38.

745
Accesses

Review   Open Access

Fine particulate matter in indoor cultural heritage: a literature review

Josep Grau-Bové, Matija Strlič Heritage Science 2013, 1:8 (3 April 2013)

Abstract | Full text | PDF

39.

737
Accesses

Research article   Open Access Highly Accessed

Use of enzymatic tools for biomonitoring inorganic pollution in aquatic sediments: a case study (Bor, Serbia)

Marioara Nicoleta Filimon, Dragos V Nica, Vasile Ostafe, Despina-Maria Bordean, Aurica Breica Borozan, Daliborca Cristina Vlad, Roxana Popescu Chemistry Central Journal 2013, 7:59 (28 March 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

40.

720
Accesses

Research article   Open Access

Classification of Hungarian medieval silver coins using x-ray fluorescent spectroscopy and multivariate data analysis

Anita Rácz, Károly Héberger, Róbert Rajkó, János Elek Heritage Science 2013, 1:2 (3 April 2013)

Abstract | Full text | PDF | Graphical abstract

41.

711
Accesses

Research article   Open Access

Calcium hydroxide nanosols for the consolidation of porous building materials - results from EU-STONECORE

Arnulf Daehne, Christoph Herm Heritage Science 2013, 1:11 (9 April 2013)

Abstract | Full text | PDF

42.

711
Accesses

Research article   Open Access

Recovery and examination of sculpture group Fugitive Slave by V. Beklemishev

Kamilla B Kalinina, Sander Habets, Evelina A Tarasova, Svetlana L Petrova Heritage Science 2013, 1:5 (3 April 2013)

Abstract | Full text | PDF | Graphical abstract

43.

707
Accesses

Commentary   Open Access

On the propagation of a conceptual error concerning hypercycles and cooperation

Eörs Szathmáry Journal of Systems Chemistry 2013, 4:1 (11 February 2013)

Abstract | Full text | PDF

44.

677
Accesses

Research article   Open Access

Microbial transformation of anti-cancer steroid exemestane and cytotoxicity of its metabolites against cancer cell lines

Elias Baydoun, Marium Bibi, Muhammad Asif Iqbal, Atia-tul Wahab, Dina Farran, Colon Smith, Samina A Sattar, Atta-ur Rahman, M Iqbal Choudhary Chemistry Central Journal 2013, 7:57 (27 March 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

45.

678
Accesses

Research article   Open Access

Influence of emulsifiers on the characteristics of polyurethane structures used as drug carrier

Alina Heghes, Codruta M Soica, Simona Ardelean, Rita Ambrus, Danina Muntean, Atena Galuscan, Dan Dragos, Daniela Ionescu, Florin Borcan Chemistry Central Journal 2013, 7:66 (10 April 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

46.

663
Accesses

Research article   Open Access

Identification and structural elucidation of ozonation transformation products of estrone

Pedro Segura, Pearl Kaplan, Viviane Yargeau Chemistry Central Journal 2013, 7:74 (23 April 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

47.

650
Accesses

Research article   Open Access

Electrochemical DNA biosensor based on the BDD nanograss array electrode

Huali Jin, Min Wei, Jinshui Wang Chemistry Central Journal 2013, 7:65 (10 April 2013)

Abstract | Full text | PDF | ePUB | PubMed

48.

647
Accesses

Research article   Open Access

Analytical pyrolysis with in-situ silylation, Py(HMDS)-GC/MS, for the chemical characterization of archaeological and historical amber objects

Maria Perla Colombini, Erika Ribechini, Marco Rocchi, Paola Selleri Heritage Science 2013, 1:6 (3 April 2013)

Abstract | Full text | PDF

49.

644
Accesses

Research article   Open Access Highly Accessed

Determination of the content of rosmarinic acid by HPLC and analytical comparison of volatile constituents by GC-MS in different parts of Perilla frutescens (L.) Britt

Jing Liu, Yuklam Wan, Zhongzhen Zhao, Hubiao Chen Chemistry Central Journal 2013, 7:61 (1 April 2013)

Abstract | Full text | PDF | ePUB | PubMed

50.

640
Accesses

Research article   Open Access

Comparison of activity indexes for recognizing enzyme mutants of higher activity with uricase as model

Juan Feng, Hongbo Liu, Xiaolan Yang, Ang Gao, Juan Liao, Liping Feng, Jun Pu, Yanling Xie, Gaobo Long, Yuanli Li, Fei Liao Chemistry Central Journal 2013, 7:69 (17 April 2013)

Abstract | Full text | PDF | ePUB | PubMed | Graphical abstract

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