日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Simulation of the Impact of Pesticides on Pollinators Under Different Conditions Using Correlation Weighting of Quasi-SMILES Components Together with the Index of Ideality of Correlation (IIC)

利用准SMILES分量的相关性加权和相关性理想性指数(IIC)模拟不同条件下农药对授粉媒介的影响

Toropova, Alla P; Toropov, Andrey A; Mescieri, Sofia; Roncaglioni, Alessandra; Benfenati, Emilio

Simulation of Fish Acute Toxicity of Pharmaceuticals Using Simplified Molecular Input Line Entry System (SMILES) Notation as a Representation of Molecular Structure

利用简化分子输入行表示法(SMILES)符号模拟药物对鱼类的急性毒性

Toropova, Alla P; Toropov, Andrey A; Colombo, Erika; Viganò, Edoardo Luca; Lombardo, Anna; Roncaglioni, Alessandra; Benfenati, Emilio

Monte Carlo Simulation of Pesticide Toxicity for Rainbow Trout (Oncorhynchus mykiss) Using New Criteria of Predictive Potential

利用新的预测潜力标准对虹鳟(Oncorhynchus mykiss)的农药毒性进行蒙特卡罗模拟

Toropova, Alla P; Toropov, Andrey A; Benfenati, Emilio

SMILES-based QSAR virtual screening to identify potential therapeutics for COVID-19 by targeting 3CL(pro) and RdRp viral proteins

基于SMILES的QSAR虚拟筛选,通过靶向3CL(pro)和RdRp病毒蛋白来识别COVID-19的潜在治疗药物。

Bazzi-Allahri, Faezeh; Shiri, Fereshteh; Ahmadi, Shahin; Toropova, Alla P; Toropov, Andrey A

Simulation of the Long-Term Toxicity Towards Bobwhite Quail (Colinus virginianus) by the Monte Carlo Method

利用蒙特卡罗方法模拟对北美鹌鹑(Colinus virginianus)的长期毒性

Iovine, Nadia; Toropova, Alla P; Toropov, Andrey A; Roncaglioni, Alessandra; Benfenati, Emilio

Models for the No-Observed-Effect Concentration (NOEC) and Maximal Half-Effective Concentration (EC50)

无观察效应浓度 (NOEC) 和最大半数效应浓度 (EC50) 模型

Iovine, Nadia; Toropova, Alla P; Toropov, Andrey A; Roncaglioni, Alessandra; Benfenati, Emilio

A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data

利用纳米QSTR模型预测纳米细胞毒性:一种基于人肺细胞数据的方法

Meneses, João; González-Durruthy, Michael; Fernandez-de-Gortari, Eli; Toropova, Alla P; Toropov, Andrey A; Alfaro-Moreno, Ernesto

Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene Derivatives

利用化学信息学和机器学习方法评估富勒烯衍生物的水生毒性特征

Fjodorova, Natalja; Novič, Marjana; Venko, Katja; Rasulev, Bakhtiyor; Türker Saçan, Melek; Tugcu, Gulcin; Sağ Erdem, Safiye; Toropova, Alla P; Toropov, Andrey A

In Silico Simulation of Impacts of Metal Nano-Oxides on Cell Viability in THP-1 Cells Based on the Correlation Weights of the Fragments of Molecular Structures and Codes of Experimental Conditions Represented by Means of Quasi-SMILES

基于准SMILES表示的分子结构片段相关权重和实验条件代码,对金属纳米氧化物对THP-1细胞活力的影响进行计算机模拟

Toropova, Alla P; Toropov, Andrey A; Fjodorova, Natalja

Development of Self-Consistency Models of Anticancer Activity of Nanoparticles under Different Experimental Conditions Using Quasi-SMILES Approach

利用准SMILES方法构建不同实验条件下纳米粒子抗癌活性的自洽模型

Toropov, Andrey A; Toropova, Alla P; Leszczynska, Danuta; Leszczynski, Jerzy