Alla P. Toropova - Publications, H-index & Citations

Alla P. Toropova

istituto di ricerche farmacologiche mario negri irccs

44H指数

388论文数

7.0K被引数

收录论文 120

发表时间

QSAR Models for Sweetness: Can They Shape the Future of Nutritional Safety?甜味定量构效关系模型：它们能否塑造营养安全领域的未来？

Foods

IF5.1

2026-04-24

OAAI

Alla P. Toropova; Andrey A. Toropov; Ivan Raŝka, Jr.; Maria Raŝkova; Patnala Ganga Raju Achary

QSAR Models for Repeated Dose Toxicity in Rats Using the CORAL Software 使用CORAL软件建立大鼠重复剂量毒性的定量构效关系模型

Toxics

IF4.1

2026-04-17

OAAI

Alla P. Toropova; Andrey A. Toropov; Nadia Iovine; Gianluca Selvestrel; Alessandra Roncaglioni; Emilio Benfenati

Simulation of Fish Acute Toxicity of Pharmaceuticals Using Simplified Molecular Input Line Entry System (SMILES) Notation as a Representation of Molecular Structure 利用简化分子输入线性表示法（SMILES）作为分子结构表示，对药物鱼类急性毒性进行模拟

International Journal of Molecular Sciences 2025, Vol. 26, Page 9348

IF4.9

2025-09-26

OAAI

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

In silico prediction of pesticide residue retention times in foods and vegetables using the Monte Carlo technique 基于蒙特卡洛技术对食品和蔬菜中农药残留保留时间的计算机模拟预测

Food Research International

IF8

2025-09-13

PREAI

Shahram Lotfi; Shahin Ahmadi; Ali Azimi; Alla P. Toropova; Andrey A. Toropov

Monte Carlo Simulation of Pesticide Toxicity for Rainbow Trout (Oncorhynchus mykiss) Using New Criteria of Predictive Potential 使用预测潜力新标准对虹鳟鱼（Oncorhynchus mykiss）农药毒性的蒙特卡洛模拟

xenobiotics

IF0

2025-07-29

OAAI

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

On some strange model for the impact sensitivity of nitro compounds obtained with Monte Carlo method 基于蒙特卡罗方法获得的某些关于硝基化合物冲击敏感性的奇异模型

Chemical Physics Letters

IF3.1

2025-06-22

PREAI

Shahin Ahmadi; Shahram Lotfi; Alla P. Toropova; Andrey A. Toropov

Las Vegas algorithm in the prediction of intrinsic solubility of drug-like compounds 拉斯维加斯算法在药物样化合物固有溶解度预测中的应用

JOURNAL OF MOLECULAR GRAPHICS & MODELLING

IF3

2025-06-01

PREAI

Veselinovic, Aleksandar M.; Toropova, Alla P.; Toropov, Andrey A.; Roncaglioni, Alessandra; Benfenati, Emilio

Construction of reliable QSPR models for predicting the impact sensitivity of nitroenergetic compounds using correlation weights of the fragments of molecular structures

SCIENTIFIC REPORTS

IF3.9

2025-04-01

OAAI

Lotfi, Shahram; Ahmadi, Shahin; Toropova, Alla P.; Toropov, Andrey A.

Semi-Correlations for the Simulation of Dermal Toxicity 半相关系数在皮肤毒性模拟中的应用

TOXICS

IF4.1

2025-03-23

OAAI

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

Monte Carlo Simulation of Aromatic Molecule Adsorption on Multi-Walled Carbon Nanotube Surfaces Using Coefficient of Conformism of a Correlative Prediction (CCCP)

C-JOURNAL OF CARBON RESEARCH

IF2.9

2025-01-14

OAAI

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

In Silico Simulation of Daphnia magna Immobilization Exposed to Mixtures of TiO2 Nanoparticles with Inorganic Compounds 体外模拟TiO2纳米颗粒与无机化合物混合物暴露下大型溞的麻痹作用

JOURNAL OF COMPOSITES SCIENCE

IF3.7

2025-01-02

OAAI

Toropova, Alla P.; Roncaglioni, Alessandra; Benfenati, Emilio

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

BMC CHEMISTRY

IF4.6

2024-10-03

OAAI

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

Models for the No-Observed-Effect Concentration (NOEC) and Maximal Half-Effective Concentration (EC50)无效应观察浓度 (NOEC) 和最大半数有效浓度 (EC50) 的模型

TOXICS

IF4.1

2024-06-12

OAAI

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

The coefficient of conformism of a correlative prediction (CCCP): Building up reliable nano-QSPRs/QSARs for endpoints of nanoparticles in different experimental conditions encoded via quasi-SMILES

SCIENCE OF THE TOTAL ENVIRONMENT

IF8

2024-06-01

PREAI

Toropova, Alla P.; Toropov, Andrey A.

Semi-Correlations for Building Up a Simulation of Eye Irritation 建立眼睛刺激模拟的半相关

TOXICS

IF4.1

2023-12-06

OAAI

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

Fragments of local symmetry in a sequence of amino acids: Does one can use for QSPR/QSAR of peptides?氨基酸序列中局部对称的片段: 可以用于肽的QSPR/QSAR吗？

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2023-12-01

PREAI

Toropova, Alla P.; Toropov, Andrey A.; Kumar, Parvin; Kumar, Ashwani; Achary, P. Ganga Raju

Isoprenylcysteine carboxyl methyltransferase inhibitors: QSAR, docking and molecular dynamics studies 异戊二烯基半胱氨酸羧基甲基转移酶抑制剂: QSAR，对接和分子动力学研究

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2023-11-01

PREAI

Das, Nilima R.; Sharma, Tripti; Goyal, Nainee; Singh, Nagendra; Toropov, Andrey A.; Toropova, Alla P.; Achary, P. Ganga Raju

The System of Self-Consistent Models: The Case of Henry's Law Constants 自洽模型系统: 亨利定律常数的情况

MOLECULES

IF4.6

2023-10-23

OAAI

Toropov, Andrey A.; Toropova, Alla P.; Roncaglioni, Alessandra; Benfenati, Emilio; Leszczynska, Danuta; Leszczynski, Jerzy

Using the local symmetry in amino acids sequences of polypeptides to improve the predictive potential of models of their inhibitor activity

AMINO ACIDS

IF2.4

2023-09-14

PREAI

Toropova, Alla P.; Toropov, Andrey A.

Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives 利用相关强度指数建立哌啶衍生物的心脏毒性模型

MOLECULES

IF4.6

2023-09-12

OAAI

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

研究方向