Be aware of error measures. Further studies on validation of predictive QSAR models K Roy, RN Das, P Ambure, RB Aher Chemometrics and Intelligent Laboratory Systems 152, 18-33, 2016 | 633 | 2016 |
"NanoBRIDGES" software: Open access tools to perform QSAR and nano-QSAR modeling P Ambure, RB Aher, A Gajewicz, T Puzyn, K Roy Chemom Intell Lab Sys, 2015 | 178 | 2015 |
How important is to detect systematic error in predictions and understand statistical applicability domain of QSAR models? K Roy, P Ambure, RB Aher Chemometrics and Intelligent Laboratory Systems 162, 44-54, 2017 | 141 | 2017 |
Synthesis of novel α-pyranochalcones and pyrazoline derivatives as Plasmodium falciparum growth inhibitors G Wanare, R Aher, N Kawathekar, R Ranjan, NK Kaushik, D Sahal Bioorganic & medicinal chemistry letters 20 (15), 4675-4678, 2010 | 114 | 2010 |
Dibenzylideneacetone analogues as novel Plasmodium falciparum inhibitors RB Aher, G Wanare, N Kawathekar, RR Kumar, NK Kaushik, D Sahal, ... Bioorganic & medicinal chemistry letters 21 (10), 3034-3036, 2011 | 50 | 2011 |
Chemometric modeling of larvicidal activity of plant derived compounds against zika virus vector Aedes aegypti: application of ETA indices P De, RB Aher, K Roy RSC advances 8 (9), 4662-4670, 2018 | 24 | 2018 |
Exploring the structural requirements in multiple chemical scaffolds for the selective inhibition of Plasmodium falciparum calcium-dependent protein kinase-1 (Pf CDPK-1) by 3D … RB Aher, K Roy SAR and QSAR in Environmental Research 28 (5), 390-414, 2017 | 19 | 2017 |
QSAR and pharmacophore modeling of diverse aminothiazoles and aminopyridines for antimalarial potency against multidrug resistant Plasmodium falciparum (Accepted) RB Aher, K Roy Medicinal Chemistry Research, 2014 | 12 | 2014 |
Exploring structural requirements for the inhibition of Plasmodium falciparum calcium-dependent protein kinase-4 (PfCDPK-4) using multiple in silico approaches RB Aher, K Roy RSC Advances, 2016 | 9 | 2016 |
First report on exploring classification and regression based QSAR modelling of Plasmodium falciparum glycogen synthase kinase (Pf GSK-3) inhibitors R Balasaheb Aher, K Roy SAR and QSAR in Environmental Research 26 (11), 959-976, 2015 | 9 | 2015 |
Recent Advances in the Open Access Cheminformatics Toolkits, Software Tools, Workflow Environments and Databases (Book chapter) P Ambure, RB Aher, K Roy Springer, 2014 | 9* | 2014 |
A brief introduction to quantitative structure-activity relationships as useful tools in predictive ecotoxicology RB Aher, K Khan, K Roy Ecotoxicological QSARs, 27-53, 2020 | 8 | 2020 |
Ibuprofen Sodium: A Novel Hydrotropic Agent for Estimation of Poorly Water-Soluble Drugs RK Maheshwari, S Deswal, R Aher, G Wanare, S Jawade, A Indurkhya, ... JOURNAL OF APPLIED CHEMICAL RESEARCH (JACR) 10 (2), 56-63, 2009 | 8 | 2009 |
2D-QSAR modeling and two-fold classification of 1,2,4-triazole derivatives for antitubercular potency against the dormant stage of Mycobacterium tuberculosis RB Aher, D Sarkar Molecular Diversity, 1-16, 2022 | 7 | 2022 |
Understanding the structural requirements in diverse scaffolds for the inhibition of P. falciparum dihydroorotate dehydrogenase (PfDHODH) using 2D-QSAR, 3D-pharmacophore and … R Aher, K Roy Comb Chem High Throughput Screen, 2014 | 6 | 2014 |
Design of antimalarial transmission blocking agents: Pharmacophore mapping of ligands active against stage-V mature gametocytes of Plasmodium falciparum RB Aher, K Roy Journal of Biomolecular Structure and Dynamics, 2018 | 4 | 2018 |
First Report on Two-Fold Classification of Plasmodium Falciparum Carbonic Anhydrase Inhibitors using QSAR Modeling Approaches R Balasaheb Aher and Kunal Roy Combinatorial Chemistry & High Throughput Screening 17, 2014 | 3 | 2014 |
Pharmacophore modeling of pretomanid (PA-824) derivatives for antitubercular potency against replicating and non-replicating Mycobacterium tuberculosis RB Aher, D Sarkar Journal of Biomolecular Structure and Dynamics 39 (3), 889-900, 2021 | 2 | 2021 |
In silico modeling of antimalarial protein kinase inhibitors R Balasaheb Aher, K Roy Letters in Drug Design & Discovery 13 (2), 129-134, 2016 | 2 | 2016 |
Computational approaches as rational decision support systems for discovering next-generation antitubercular agents: mini-review RB Aher, K Roy Current Computer-Aided Drug Design 15 (5), 369-383, 2019 | 1 | 2019 |