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Prediction of Chemical toxicity (eBook)

computational methods for the prediction of chemical toxicity weedicide
Type: e-book
Genre: Education & Language, Science & Technology
Language: English
Price: ₹125
(Immediate Access on Full Payment)
Available Formats: PDF


Advancement in the field of computational prediction of numerous chemical toxicities has grown over the past two decades significantly. These in silico methods offer significant benefits to both regulatory needs and requirements for risk assessments, and the pharmaceutical industry to assess the safety profile of a chemical. Here, we present ProTox II and StopTox that incorporates molecular similarity, pharmacophores, fragment propensities, and machine-learning models for the prediction of various toxicity; such as acute toxicity, hepatotoxicity, cytotoxicity, carcinogenicity, mutagenicity, immunotoxicity, and toxicity targets. STopTox and ProTox-II provide a freely obtainable webserver for in silico toxicity prediction for toxicologists, regulatory agencies, computational and medicinal chemists, and all users without login at and The webserver takes a two-dimensional chemical structure as input and reports the possible toxicity profile of the chemical for 33 models with confidence scores, and an overall toxicity radar chart along with the three most similar compounds with known acute toxicity.

About the Authors

Dr. R. Subramanian. M.Sc., M.Phil. Ph.D
I have completed a Ph.D in chemistry from Manonmaniam Sundaranar University. Now I am working as an Assistant Professor in the department of chemistry, M S University College, Tirunelveli, Tamilnadu.

Dr. T. ARUN, M.Sc., Ph.D.,
I have completed a Ph.D. in chemistry from Madurai Kamaraj University. Now I am working as an Assistant Professor in the department of chemistry, M S University College, Tirunelveli, Tamilnadu

Book Details

Number of Pages: 67
Availability: Available for Download (e-book)

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