Results 1 to 10 of about 69,892 (129)

Feature Selection Using Information Gain for Improved Structural-Based Alert Correlation. [PDF]

PLoS ONE, 2016
Grouping and clustering alerts for intrusion detection based on the similarity of features is referred to as structurally base alert correlation and can discover a list of attack steps.
Taqwa Ahmed Alhaj, Maheyzah Md Siraj, Anazida Zainal, Huwaida Tagelsir Elshoush, Fatin Elhaj   +4 more
doaj   +5 more sources

SApredictor: An Expert System for Screening Chemicals Against Structural Alerts

Frontiers in Chemistry, 2022
The rapid and accurate evaluation of chemical toxicity is of great significance for estimation of chemical safety. In the past decades, a great number of excellent computational models have been developed for chemical toxicity prediction.
Yuqing Hua, Xueyan Cui, Bo Liu, Yinping Shi, Huizhu Guo, Ruiqiu Zhang, Xiao Li, Xiao Li   +7 more
doaj   +3 more sources

AUTOMATED DETECTION OF STRUCTURAL ALERTS (CHEMICAL FRAGMENTS) IN (ECO)TOXICOLOGY

Computational and Structural Biotechnology Journal, 2013
This mini-review describes the evolution of different algorithms dedicated to the automated discovery of chemical fragments associated to (eco)toxicological endpoints.
Alban Lepailleur, Guillaume Poezevara, Ronan Bureau   +2 more
doaj   +7 more sources

Modeling and insights into the structural basis of chemical acute aquatic toxicity

Ecotoxicology and Environmental Safety, 2022
It has become a top global regulatory priority to prevent and control pollution from the release of synthetic chemicals, which continues to affect the aquatic communities. In the past decades, computational tools were largely used to significantly reduce
Ruiqiu Zhang, Huizhu Guo, Yuqing Hua, Xueyan Cui, Yinping Shi, Xiao Li   +5 more
doaj   +1 more source

Alarms about structural alerts [PDF]

Green Chemistry, 2016
Integrative approach for safety assessment of new chemicals by combining structural alerts and QSAR models.
Vinicius, Alves, Eugene, Muratov, Stephen, Capuzzi, Regina, Politi, Yen, Low, Rodolpho, Braga, Alexey V, Zakharov, Alexander, Sedykh, Elena, Mokshyna, Sherif, Farag, Carolina, Andrade, Victor, Kuz'min, Denis, Fourches, Alexander, Tropsha   +13 more
openaire   +2 more sources

Development of Prediction Models for Drug-Induced Cholestasis, Cirrhosis, Hepatitis, and Steatosis Based on Drug and Drug Metabolite Structures

Frontiers in Pharmacology, 2020
Drug-induced liver injury (DILI) is one of the major reasons for termination of drug development. Due to the importance of predicting DILI in early phases of drug development, diverse in silico models have been developed to filter out DILI-causing ...
Hyun Kil Shin, Myung-Gyun Kang, Daeui Park, Daeui Park, Tamina Park, Tamina Park, Seokjoo Yoon, Seokjoo Yoon   +7 more
doaj   +1 more source

In Silico Prediction and Insights Into the Structural Basis of Drug Induced Nephrotoxicity

Frontiers in Pharmacology, 2022
Drug induced nephrotoxicity is a major clinical challenge, and it is always associated with higher costs for the pharmaceutical industry and due to detection during the late stages of drug development.
Yinping Shi, Yuqing Hua, Yuqing Hua, Baobao Wang, Ruiqiu Zhang, Ruiqiu Zhang, Xiao Li, Xiao Li   +7 more
doaj   +1 more source

Integration of QSAR and SAR methods for the mechanistic interpretation of predictive models for carcinogenicity

Computational and Structural Biotechnology Journal, 2012
The knowledge-based Toxtree expert system (SAR approach) was integrated with the statistically based counter propagation artificial neural network (CP ANN) model (QSAR approach) to contribute to a better mechanistic understanding of a carcinogenicity ...
Natalja Fjodorova, Marjana Novič
doaj   +3 more sources

The use of structural alerts to avoid the toxicity of pharmaceuticals

Toxicology Reports, 2018
In order to identify compounds with potential toxicity problems, particular attention is paid to structural alerts, which are high chemical reactivity molecular fragments or fragments that can be transformed via bioactivation by human enzymes into ...
Carmen Limban, Diana C. Nuţă, Cornel Chiriţă, Simona Negreș, Andreea L. Arsene, Marina Goumenou, Spyros P. Karakitsios, Aristidis M. Tsatsakis, Dimosthenis A. Sarigiannis   +8 more
doaj   +1 more source

Perceptions of Alerts Issued by Social Media Platforms in Response to Self-injury Posts Among Latinx Adolescents: Qualitative Analysis

Journal of Medical Internet Research, 2021
BackgroundThere is growing interest in using social media data to detect and address nonsuicidal self-injury (NSSI) among adolescents.
Linnea I Laestadius, Katherine A Craig, Celeste Campos-Castillo   +2 more
doaj   +1 more source