Literature DB >> 32323128

Pesticides, cosmetics, drugs: identical and opposite influences of various molecular features as measures of endpoints similarity and dissimilarity.

Andrey A Toropov1, Alla P Toropova2, Marco Marzo1, Edoardo Carnesecchi1,3, Gianluca Selvestrel1, Emilio Benfenati1.   

Abstract

The similarity is an important category in natural sciences. A measure of similarity for a group of various biochemical endpoints is suggested. The list of examined endpoints contains (1) toxicity of pesticides towards rainbow trout; (2) human skin sensitization; (3) mutagenicity; (4) toxicity of psychotropic drugs; and (5) anti HIV activity. Further applying and evolution of the suggested approach is discussed. In particular, the conception of the similarity (dissimilarity) of endpoints can play the role of a "useful bridge" between quantitative structure property/activity relationships (QSPRs/QSARs) and read-across technique.

Entities:  

Keywords:  Biochemical endpoints; Index of ideality of correlation; Monte Carlo method; QSAR; Similarity/dissimilarity of endpoints

Year:  2020        PMID: 32323128     DOI: 10.1007/s11030-020-10085-3

Source DB:  PubMed          Journal:  Mol Divers        ISSN: 1381-1991            Impact factor:   2.943


  41 in total

Review 1.  Recent advances on the role of topological indices in drug discovery research.

Authors:  E Estrada; E Uriarte
Journal:  Curr Med Chem       Date:  2001-11       Impact factor: 4.530

2.  Detergent-resistant plasma membrane proteome in oat and rye: similarities and dissimilarities between two monocotyledonous plants.

Authors:  Daisuke Takahashi; Yukio Kawamura; Tetsuro Yamashita; Matsuo Uemura
Journal:  J Proteome Res       Date:  2012-01-31       Impact factor: 4.466

3.  Superaugmented eccentric distance sum connectivity indices: novel highly discriminating topological descriptors for QSAR/QSPR.

Authors:  Monika Gupta; Sunil Gupta; Harish Dureja; Anil Kumar Madan
Journal:  Chem Biol Drug Des       Date:  2011-11-28       Impact factor: 2.817

4.  QSAR models based on isomorphic and nonisomorphic data fusion for predicting the blood brain barrier permeability.

Authors:  Manuel Urbano Cuadrado; Irene Luque Ruiz; Miguel Angel Gómez-Nieto
Journal:  J Comput Chem       Date:  2007-05       Impact factor: 3.376

5.  Similarity or dissimilarity in the relations between human service organizations.

Authors:  Kevin Bruynooghe; Mieke Verhaeghe; Piet Bracke
Journal:  Soc Work Public Health       Date:  2008

6.  Predicting the predictability: a unified approach to the applicability domain problem of QSAR models.

Authors:  Horvath Dragos; Marcou Gilles; Varnek Alexandre
Journal:  J Chem Inf Model       Date:  2009-07       Impact factor: 4.956

7.  Fingerprint-based clustering applied to define a QSAR model use radius.

Authors:  D G Sprous
Journal:  J Mol Graph Model       Date:  2008-05-03       Impact factor: 2.518

8.  Nonverbal behavior during clinical interviews: similarities and dissimilarities among schizophrenia, mania, and depression.

Authors:  Sigrid Annen; Patrik Roser; Martin Brüne
Journal:  J Nerv Ment Dis       Date:  2012-01       Impact factor: 2.254

9.  QSAR approach for mixture toxicity prediction using independent latent descriptors and fuzzy membership functions.

Authors:  M Mwense; X Z Wang; F V Buontempo; N Horan; A Young; D Osborn
Journal:  SAR QSAR Environ Res       Date:  2006-02       Impact factor: 3.000

10.  Comparative transcriptomic analysis reveals similarities and dissimilarities in Saccharomyces cerevisiae wine strains response to nitrogen availability.

Authors:  Catarina Barbosa; José García-Martínez; José E Pérez-Ortín; Ana Mendes-Ferreira
Journal:  PLoS One       Date:  2015-04-17       Impact factor: 3.240

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