BLUSH
发表于 2025-3-28 18:11:47
In Silico 3D Modeling of Binding Activitiesever, only applicable for chemical hazard identification situations where the specific target receptor for a given chemical is known and the crystal structure/homology model of the receptor is available.
cortex
发表于 2025-3-28 22:36:37
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Ceremony
发表于 2025-3-29 01:07:23
In Silico Models for Repeated-Dose Toxicity (RDT): Prediction of the No Observed Adverse Effect Levelimitations since they do not refer to a single end point but to several different effects and the doses used in experimental studies strongly influence the final results. Few attempts to model NOAEL and LOAEL have been reported. The available database and models for the prediction of NOAEL and LOAEL are reviewed here.
GOAT
发表于 2025-3-29 03:22:57
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expunge
发表于 2025-3-29 08:43:14
Modeling ADMETpossible in drug discovery. Here, we describe in detail how ADMET models can be developed and applied using a commercially available package, ADMET Predictor™ 7.2 (ADMET Predictor v7.2. Simulations Plus, Inc., Lancaster, CA, USA).
SAGE
发表于 2025-3-29 15:14:21
Adverse Outcome Pathways as Tools to Assess Drug-Induced Toxicitynumber of purposes pertinent to safety assessment of drugs, in particular the establishment of quantitative structure-activity relationships, the development of novel in vitro toxicity screening tests, and the elaboration of prioritization strategies.
兽皮
发表于 2025-3-29 16:51:48
Book 2016on of the tools.Beginning with a section covering sophisticated models addressing the bindingto receptors, pharmacokinetics and adsorption, metabolism, distribution, andexcretion, the book continues with chapters delving into models for specifictoxicological and ecotoxicological endpoints, as well a
molest
发表于 2025-3-29 21:08:48
1064-3745 fers the advantage of incorporating data and knowledge fromdifferent fields, such as chemistry, biology, -omics, and pharmacology, toachieve goals in this vital area of research..978-1-4939-8093-2978-1-4939-3609-0Series ISSN 1064-3745 Series E-ISSN 1940-6029
EXALT
发表于 2025-3-30 02:49:36
QSAR Methods,plied to chemical design, to computational toxicology, and to drug discovery. We discuss how the experimental practice in biological science is moving more and more toward modeling and simulation. Such virtual experiments confirm hypotheses, provide data for regulation, and help in designing new che
不在灌木丛中
发表于 2025-3-30 07:20:25
In Silico Model for Developmental Toxicity: How to Use QSAR Models and Interpret Their Resultsxamples illustrating an approach to combine human-based rules and statistical methods to support the prediction of developmental toxicity; we also discuss assumptions and uncertainties of the methodology.