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

Review on Predictive Models and Integration Strategies for Holistic Impact Assessment of Chemicals and Materials

化学品和材料整体影响评估的预测模型和整合策略综述

Serra, Angela; Torres Maia, Marcella; Tsiros, Periklis; Minadakis, Vasileios; Riudavets-Puig, Rafael; Perello-Y-Bestard, Adrien; Nikiforou, Fotini; Karakoltzidis, Achilleas; Di Lieto, Emanuele; Schaffert, Alexandra; Al-Abdulraheem, Zeyad; Virmani, Ishita; Dziubaniuk, Olga; Karhukorpi, Sikri; Dokler, Joahim; Zouraris, Dimitrios; Mintis, Dimitris G; Varsou, Dimitra-Danai; Tsoumanis, Andreas; Melagraki, Georgia; Isigonis, Panagiotis; Papadiamantis, Anastasios G; Buljan, Marija; Agalliadou, Anna; Ellis, Laura-Jayne A; Sergent, Jacques-Aurélien; Alves Siqueira de Assunção, Matheus; Martinez, Diego Stéfani Teodoro; Winkler, David; Park, Seung-Geun; Ha, Seung Min; Gerelkhuu, Zayakhuu; Yoon, Tae Hyun; Karakitsios, Spyros; Sarigiannis, Dimosthenis A; Afantitis, Antreas; Cucurachi, Stefano; Serchi, Tommaso; Marvuglia, Antonino; Exner, Thomas; Siltaloppi, Jaakko; Paparella, Martin; Peijnenburg, Willie; Wick, Peter; Lynch, Iseult; Sarimveis, Haralambos; Greco, Dario

HydroNanoConstruct: A Web Application for Digital Construction, Crystal Growth Investigation, and Atomistic Descriptor Calculation of Hydrated Metal Oxide Nanoparticles Powered by the EosCloud Platform

HydroNanoConstruct:一款基于 EosCloud 平台的 Web 应用程序,用于对水合金属氧化物纳米颗粒进行数字化构建、晶体生长研究和原子描述符计算。

Kolokathis, Panagiotis D; Sourpis, Anastasios; Mintis, Dimitris; Tsoumanis, Andreas; Melagraki, Georgia; Velimirovic, Milica; Lynch, Iseult; Afantitis, Antreas

Novel Dorsomorphin Derivatives: Molecular Modeling, Synthesis, and Bioactivity Evaluation

新型多索莫芬衍生物:分子建模、合成及生物活性评价

Tzanetou, Evangelia N; Liekens, Sandra; Kasiotis, Konstantinos M; Fokialakis, Nikolas; Tsafantakis, Nikolaos; SanMartin, Raul; Tzoupis, Haralampos; Papavasileiou, Konstantinos D; Afantitis, Antreas; Haroutounian, Serkos A

Molecular dynamics simulations of temperature-dependent PET binding in PETase, ThermoPETase, and FAST-PETase

PETase、ThermoPETase 和 FAST-PETase 中温度依赖性 PET 结合的分子动力学模拟

Karaoli, Athina; Mintis, Dimitris G; Tzoupis, Haralampos; Kiranoudis, Chris T; Lynch, Iseult; Melagraki, Georgia; Afantitis, Andreas

Atom-level descriptors and explainable prediction of iron carbide nanoparticles' cytotoxicity via the Enalos Cloud platform

利用 Enalos 云平台,对碳化铁纳米颗粒的细胞毒性进行原子级描述符描述和可解释预测。

Antoniou, Maria; Varsou, Dimitra-Danai; Tsoumanis, Andreas; Melagraki, Georgia; Lynch, Iseult; Afantitis, Antreas

Read-Across Structural Analysis of PFAS Acute Oral Toxicity in Rats Powered by the Isalos Analytics Platform's Automated Machine Learning

利用 Isalos 分析平台的自动化机器学习技术,对大鼠急性经口 PFAS 毒性进行交叉结构分析

Theodori, Aikaterini; Papavasileiou, Konstantinos D; Tsoumanis, Andreas; Melagraki, Georgia; Afantitis, Antreas

CRUSADE project: Recycling technologies for ELV components to create a sustainable source of market grade materials for EU applications

CRUSADE项目:利用报废车辆部件回收技术,为欧盟应用创造可持续的市场级材料来源

Yakoumis, Iakovos; Moschovi, Anastasia-Maria; Thoda, Olga; Katsiapi, Asimina; Stamatopoulou, Panagiota; Charitos, Alexandros; Sandig-Predzymirska, Lesia; Wamunyu, Wambui; Adjapong, Sebeh; Murru, Walter; Veglio, Francesco; Zueva, Svetlana; Passadoro, Marco; Afantitis, Antreas; Mintis, Dimitris; Tsoumanis, Andreas; Papadopoulou, Eleni; Paloumpis, George; Theodoropoulos, Nikolaos; Zogali, Vasiliki; Xanthopoulos, Panagiotis; Gerolymatou, Lydia; Ataş, Derya Dilara; Durmuş, Özak; Çelik, Mehmet; Dönmez, Naim; Güzeltepe, Burak; Kama, Yiğitcan; Athanasakopoulos, Epameinondas; Babagiannou, Rosanna; Baglio, Vincenzo; Vecchio, Carmelo Lo; Gatto, Irene; Sempere, David Anguera; Kromminga, Jendrik; Santamarina, Elena; Fernández, Andrés; Gieseking, Bjorn; Prieto, Camilo; Abbate, Andrea Vincenzo; Di Frangia, Manuel; Spreghini, Michela; Di Muro, Francesco; Ferrara, Diana; Brockerhoff, Lucas; Weber, Peter; Lavoie, Philippe; Von Sivers, Dominique; Witzel, Florian; Salehi, Farzad; Koc, Deniz; Nicol, Giovanna; Costa, Renzo; Parussa, Flavio; Atia, Thomas Abo

BMDx2: A Tool for Integrating Toxicogenomics-Based Dose-Dependency Analysis and AOP-Based Mechanistic Insights

BMDx2:一种整合基于毒理基因组学的剂量依赖性分析和基于AOP的机制见解的工具

Serra, Angela; Fratello, Michele; Migliaccio, Giorgia; Di Lieto, Emanuele; Maia, Marcella Torres; Saarimäki, Laura Aliisa; Pavel, Alisa; Schaffert, Alexandra; Tsoumanis, Andreas; Afantitis, Antreas; Morikka, Jack; Del Giudice, Giusy; Greco, Dario

Prediction of blood-brain barrier and Caco-2 permeability through the Enalos Cloud Platform: combining contrastive learning and atom-attention message passing neural networks

利用 Enalos 云平台预测血脑屏障和 Caco-2 细胞通透性:结合对比学习和原子注意力消息传递神经网络

Koutroumpa, Nikoletta-Maria; Tsoumanis, Andreas; Sarimveis, Haralambos; Lynch, Iseult; Melagraki, Georgia; Afantitis, Antreas

UANanoDock: A Web-Based UnitedAtom Multiscale Nanodocking Tool for Predicting Protein Adsorption onto Nanoparticles

UANanoDock:一款基于网络的UnitedAtom多尺度纳米对接工具,用于预测蛋白质在纳米颗粒上的吸附

Subbotina, Julia; Kolokathis, Panagiotis D; Tsoumanis, Andreas; Sidiropoulos, Nikolaos K; Rouse, Ian; Lynch, Iseult; Lobaskin, Vladimir; Afantitis, Antreas