Search Result "toxicophore."

Toxicophoric and Metabolic In Silico Evaluation of Benzimidazole and Phenylbenzamide Derivatives with Potential Application as Anticancer Agents

Journal: Drug Metabolism Letters
Volume: 5 Issue: 4 Year: 2011 Page: 267-275
Author(s): Vinicius Barreto da Silva, Andreia Machado Leopoldino, Carlton Anthony Taft, Carlos Henrique Tomich de Paula da Silva

Editorial

Editorial: The Concepts of Pharmacophore/Toxicophores: A Philosophical/Mathematical- cum-Historical Perspective

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 2 Year: 2018 Page: 103-105
Author(s): Lemont B. Kier,Subhash C. Basak

NMR Analysis of Potentially Neurotoxic Annonaceous Fruits

Journal: The Natural Products Journal
Volume: 3 Issue: 3 Year: 2013 Page: 230-241
Author(s): Rensheng Rensheng Luo,José Guilherme S. Maia,Maria Rosa de Moraes,Helena T. Godoy,Armando A.U. Sabaa-Srur,Kevin Tran,Kristy M. Richards,Douglas M. Monroe,Ralph H. Vocque,Robert E. Smith

A Study of Applications of Machine Learning Based Classification Methods for Virtual Screening of Lead Molecules

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 7 Year: 2015 Page: 658-672
Author(s): Renu Vyas,Sanket Bapat,Esha Jain,Sanjeev S. Tambe,Muthukumarasamy Karthikeyan,Bhaskar D. Kulkarni

In Silico Bioisosteric Replacements of hnRNP K Ligands as Anticancer Lead Compounds

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 30-34
Author(s): Vinicius B. Da Silva,Andreia M. Leopoldino,Carlos H.T.P. Da Silva

ChemScreener: A Distributed Computing Tool for Scaffold based Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 6 Year: 2015 Page: 544-561
Author(s): Muthukumarasamy Karthikeyan,Deepak Pandit,Renu Vyas

Research Article

In Silico Prediction of Chemical Toxicity Profile Using Local Lazy Learning

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 4 Year: 2017 Page: 346-353
Author(s): Jing Lu,Pin Zhang,Xiao-Wen Zou,Xiao-Qiang Zhao,Ke-Guang Cheng,Yi-Lei Zhao,Yi Bi,Ming-Yue Zheng,Xiao-Min Luo

Research Article

Design of Inhibitors for Glyceraldehyde-3-phosphate Dehydrogenase (GAPDH) Enzyme of Leishmania mexicana

Journal: Medicinal Chemistry
Volume: 16 Issue: 6 Year: 2020 Page: 784-795
Author(s): Krisnna M.A. Alves,Fábio José Bonfim Cardoso,Kathia M. Honorio,Fábio A. de Molfetta

Research Article

Prediction and Experimental Evaluation of the hERG Blocking Potentialof Drugs Showing Clinical Signs of Cardiotoxicity

Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 11 Year: 2023 Page: 1757-1767
Author(s):

Role of Open Source Tools and Resources in Virtual Screening for Drug Discovery

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 6 Year: 2015 Page: 528-543
Author(s): Muthukumarasamy Karthikeyan,Renu Vyas

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