Search Result "PaDEL"


Research Article

Role of 2-Dimensional Autocorrelation Descriptors in Predicting Antimalarial Activity of Artemisinin and its Aanalogues: A QSAR Study

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 31 Year: 2018 Page: 2720-2730
Author(s): Sourav Kalra,Gaurav Joshi,Raj Kumar,Anjana Munshi

Research Article

Exploring the QSAR Analysis of imidazole-4, 5- and pyrazine-2,3- Dicarboxamides Derivatives Using Online Available Resources

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 1 Year: 2016 Page: 1047-1054
Author(s): Arpit K. Gupta, Ravi Raushan, Jagadish Singh, Partha P. Roy

Determination of Torsade-Causing Potential of Drug Candidates Using One-Class Classification and Ensemble Modelling Approaches

Journal: Current Drug Safety
Volume: 7 Issue: 4 Year: 2012 Page: 298-308
Author(s): Yuye He,Samuel Wen Yan Lim,Chun Wei Yap

Research Article

Identification of Key Features of CNS Drugs Based on SVM and Greedy Algorithm

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 6 Year: 2020 Page: 725-733
Author(s): Ruilin Zhang,Yanrui Ding

Research Article

Toxicity Prediction for Immune Thrombocytopenia Caused by DrugsBased on Logistic Regression with Feature Importance

Journal: Current Bioinformatics
Volume: 19 Issue: 7 Year: 2024 Page: 641-650
Author(s): Kil To Chong

Ligand-Based Pharmacophore Detection and Screening of Potential Glitazones

Journal: Current Enzyme Inhibition
Volume: 8 Issue: 1 Year: 2012 Page: 22-46
Author(s): Ritesh Agrawal, Pratima Jain, Subodh N. Dikshit

N-Linear Algebraic Maps for Chemical Structure Codification: A Suitable Generalization for Atom-pair Approaches?

Journal: Current Drug Metabolism
Volume: 15 Issue: 4 Year: 2014 Page: 441-469
Author(s): Cesar R. Garcia-Jacas,Yovani Marrero-Ponce,Stephen J. Barigye,Jose R. Valdes-Martini,Oscar M. Rivera-Borroto,Jesus Olivero-Verbel

Research Article

Drug Repositioning Based on a Multiplex Network by Integrating Disease,Gene, and Drug Information

Journal: Current Bioinformatics
Volume: 18 Issue: 3 Year: 2023 Page: 266-275
Author(s):

In Silico Designing and Screening of Antagonists against Cancer Drug Target XIAP

Journal: Current Cancer Drug Targets
Volume: 15 Issue: 9 Year: 2015 Page: 836-846
Author(s): Rahul Kumar,Jagat Singh Chauhan,Gajendra Pal Singh Raghava

Research Article

Machine Learning and Molecular Dynamics Based Insights into Mode of Actions of Insulin Degrading Enzyme Modulators

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 4 Year: 2017 Page: 279-291
Author(s): Salma Jamal,Sukriti Goyal,Asheesh Shanker,Abhinav Grover

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