The Influence of Structural Patterns on Acute Aquatic Toxicity of Organic Compounds

Author:

Tinkov Oleg12,Polishchuk Pavel3,Matveieva Mariia3,Grigorev Veniamin4,Grigoreva Ludmila5,Porozov Yuri67

Affiliation:

1. Department of Computer Science Military Institute of the Ministry of Defense 3300 Gogol str. 2”B” Tiraspol Transdniestria Moldova

2. Department of Pharmacology and Pharmaceutical Chemistry Medical Faculty Transnistrian State University 3300 October 25 str. 128 Tiraspol Transdniestria Moldova

3. Institute of Molecular and Translational Medicine Faculty of Medicine and Dentistry Palacký University and University Hospital in Olomouc Hnevotinska 5 77900 Olomouc Czech Republic

4. Institute of Physiologically Active Compounds Russian Academy of Sciences 142432 Severniy proezd 1 Chernogolovka Moscow region Russia

5. Department of Fundamental Physical and Chemical Engineering Moscow State University 119991 Leninskiye Gory 1/51 Moscow Russia

6. World-Class Research Center “Digital biodesign and personalized healthcare” I.M. Sechenov First Moscow State Medical University Moscow Russia

7. Department of Computational Biology Sirius University of Science and Technology 354340 Olympic Ave 1 Sochi Russia

Funder

Ministry of Science and Higher Education of the Russian Federation

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Reference76 articles.

1. Correction: QSAR without borders

2. European Commission Regulation (EC) no 1907/2006 of the European parliament and of the council of 18 December 2006 concerning the registration evaluation authorisation and restriction of chemicals (REACH) establishing a European chemicals agency amending directive 1999/45/ECC and repealing council regulation (EEC) No 793/93 and commission regulation (EC) No 1488/94 as well as council directive 76/769/EEC and commission directives 91/155/EEC 93/67/EEC 93/105/EEC and 2000/21/EC Off. J. Eur. Union. 50 2007 1–281.

3. Monte Carlo–based quantitative structure–activity relationship models for toxicity of organic chemicals to Daphnia magna

4. Chemometric modeling of aquatic toxicity of contaminants of emerging concern (CECs) in Dugesia japonica and its interspecies correlation with daphnia and fish: QSTR and QSTTR approaches

5. Prediction of acute toxicity of emerging contaminants on the water flea Daphnia magna by Ant Colony Optimization–Support Vector Machine QSTR models

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