Heather L. Ciallella
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View article: Data-Driven Quantitative Structure–Activity Relationship Modeling for Human Carcinogenicity by Chronic Oral Exposure
Data-Driven Quantitative Structure–Activity Relationship Modeling for Human Carcinogenicity by Chronic Oral Exposure Open
Traditional methodologies for assessing chemical toxicity are expensive and time-consuming. Computational modeling approaches have emerged as low-cost alternatives, especially those used to develop quantitative structure-activity relations…
View article: Predicting Prenatal Developmental Toxicity Based On the Combination of Chemical Structures and Biological Data
Predicting Prenatal Developmental Toxicity Based On the Combination of Chemical Structures and Biological Data Open
For hazard identification, classification, and labeling purposes, animal testing guidelines are required by law to evaluate the developmental toxicity potential of new and existing chemical products. However, guideline developmental toxici…
View article: Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite
Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite Open
In this article, the “ Acknowledgments ” section was missing the text below: H.C., D.P.R., and H.Z. at Rutgers University at Camden were partially supported by the NIEHS (grants R01ES031080 and R15ES023148).The authors regret the error.
View article: Revealing Adverse Outcome Pathways from Public High-Throughput Screening Data to Evaluate New Toxicants by a Knowledge-Based Deep Neural Network Approach
Revealing Adverse Outcome Pathways from Public High-Throughput Screening Data to Evaluate New Toxicants by a Knowledge-Based Deep Neural Network Approach Open
Traditional experimental testing to identify endocrine disruptors that enhance estrogenic signaling relies on expensive and labor-intensive experiments. We sought to design a knowledge-based deep neural network (k-DNN) approach to reveal a…
View article: CATMoS: Collaborative Acute Toxicity Modeling Suite
CATMoS: Collaborative Acute Toxicity Modeling Suite Open
BACKGROUND: Humans are exposed to tens of thousands of chemical substances that need to be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for regulatory hazard classification, labeling, and risk …
View article: Construction of a Virtual Opioid Bioprofile: A Data-Driven QSAR Modeling Study to Identify New Analgesic Opioids
Construction of a Virtual Opioid Bioprofile: A Data-Driven QSAR Modeling Study to Identify New Analgesic Opioids Open
Compared to traditional experimental approaches, computational modeling is a promising strategy to efficiently prioritize new candidates with low cost. In this study, we developed a novel data mining and computational modeling workflow pro…
View article: Extended Stability Evaluation of Selected Cathinones
Extended Stability Evaluation of Selected Cathinones Open
Understanding the stability of drugs in a forensic toxicology setting is critical for the evaluation of drug concentrations. Synthetic cathinones are new psychoactive substances structurally derived from cathinone, the psychoactive compone…