Prediction reliability of QSAR models: an overview of various validation tools von De, Priyanka, Kar, Supratik, Ambure, Pravin, Roy, Kunal

Volltext

How Precise Are Our Quantitative Structure–Activity Relationship Derived Predictions for New Query Chemicals? von Roy, Kunal, Ambure, Pravin, Kar, Supratik

Volltext

Be aware of error measures. Further studies on validation of predictive QSAR models von Roy, Kunal, Das, Rudra Narayan, Ambure, Pravin, Aher, Rahul B.

Volltext

Cytotoxic and Antioxidant Activity of a Set of Hetero Bicylic Methylthiadiazole Hydrazones: A Structure-Activity Study von Kodisundaram, Paulrasu, Duraikannu, Arul, Balasankar, Thirunavukkarasu, Sundarao Ambure, Pravin, Roy, Kunal

Volltext

Exploring structural requirements of leads for improving activity and selectivity against CDK5/p25 in Alzheimer's disease: an in silico approach von Ambure, Pravin, Roy, Kunal

Volltext

Pharmacophore mapping-based virtual screening followed by molecular docking studies in search of potential acetylcholinesterase inhibitors as anti-Alzheimer's agents von Ambure, Pravin, Kar, Supratik, Roy, Kunal

Volltext

In vitro evaluation and in silico screening of synthetic acetylcholinesterase inhibitors bearing functionalized piperidine pharmacophores von Brahmachari, Goutam, Choo, CheeYan, Ambure, Pravin, Roy, Kunal

Volltext

QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models von Ambure, Pravin, Halder, Amit Kumar, González Díaz, Humbert, Cordeiro, M. Natália D. S

Volltext

New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and... von Ambure, Pravin, Gajewicz-Skretna, Agnieszka, Cordeiro, M. Natalia D. S, Roy, Kunal

Volltext

G4-QuadScreen: A Computational Tool for Identifying Multi-Target-Directed Anticancer Leads against G-Quadruplex DNA von Bhat-Ambure, Jyotsna, Ambure, Pravin, Serrano-Candelas, Eva, Galiana-Roselló, Cristina, Gil-Martínez, Ariadna, Guerrero, Mario, Martin, Margarita, González-García, Jorge, García-España, Enrique, Gozalbes, Rafael

Volltext

Understanding the structural requirements of cyclic sulfone hydroxyethylamines as hBACE1 inhibitors against Aβ plaques in Alzheimer's disease: a predictive QSAR approachElectronic... von Ambure, Pravin, Roy, Kunal

Volltext

3D-QSAR and molecular docking analysis of biphenyl amide derivatives as p38α mitogen-activated protein kinase inhibitors von Ambure, Pravin Sundarao, Gangwal, Rahul Prakashchand, Sangamwar, Abhay T.

Volltext

Importance of Data Curation in QSAR Studies Especially While Modeling Large-Size Datasets von Ambure, Pravin, Cordeiro, M. Natália Dias Soeiro

Volltext

Recent Advances in the Open Access Cheminformatics Toolkits, Software Tools, Workflow Environments, and Databases von Ambure, Pravin, Aher, Rahul Balasaheb, Roy, Kunal

Volltext