A5077744468- Computational Drug Discovery Methods
- Animal testing and alternatives
- Drug Solubulity and Delivery Systems
- Surfactants and Colloidal Systems
- Protein Interaction Studies and Fluorescence Analysis
- Pharmacogenetics and Drug Metabolism
- Effects and risks of endocrine disrupting chemicals
- Advanced Nanomaterials in Catalysis
- Advanced biosensing and bioanalysis techniques
- Contact Dermatitis and Allergies
- Cholinesterase and Neurodegenerative Diseases
- Analytical Chemistry and Chromatography
- Electrochemical sensors and biosensors
- Synthesis and biological activity
- Inflammatory mediators and NSAID effects
- Microbial Natural Products and Biosynthesis
Shanghai Institute of Materia Medica
2022
Chinese Academy of Sciences
2022
University of Chinese Academy of Sciences
2022
East China University of Science and Technology
2017-2020
In-Q-Tel
2017
Chemical absorption, distribution, metabolism, excretion, and toxicity (ADMET), play key roles in drug discovery development.
Abstract Reproductive toxicity is an important regulatory endpoint in health hazard assessment. Because the vivo tests are expensive, time consuming and require a large number of animals, which must be killed, silico approaches as alternative strategies have been developed to assess potential reproductive (reproductive toxicity) chemicals. Some prediction models for developed, but most them were built only based on one single such embryo teratogenicity; therefore, these may not provide...
Six machine learning methods combined with six fingerprints and 49 descriptors were utilized to predict chemical genotoxicity.