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Shaik B.,National Institute of Technical Teachers Training and Research | Singh J.,Amrapali Institute of Technology and science | Ahmad I.,National Institute of Technical Teachers Training and Research | Singh D.P.,P.A. College | And 3 more authors.
Journal of the Indian Chemical Society | Year: 2012

In the present study we have considered a diverse set of 48 organic compounds and modeled their acute toxicity (-log LC50) values to the fathead minnow using (i) distance-based topological indices, (ii) Randic connectivity, (iii) Kier and Hall valence connectivity indices, (iv) Balaban and Balaban type indices and (v) structural parameters and performed external validation. The metrices such as R2 Pred or Q 2 ext are reported to denote excellent quality of external validation.


Shaik B.,National Institute of Technical Teachers Training and Research | Singh J.,Amrapali Institute of Technology and science | Agrawal V.K.,National Institute of Technical Teachers Training and Research
Medicinal Chemistry Research | Year: 2012

This study is based on modeling the antimalarial activity (log IC 50/nm) of 20 cyclic peroxy ketals using topological and physicochemical parameters. The multiple regression analysis reveals that the five-parametric model containing MW, ST, v eq, 0v v, IP 2 as correlating parameters is the best for modeling the activity of the compounds under present study. The cross-validated parameters have been calculated by LOO cross-validation procedure for validation of proposed model. © Springer Science+Business Media, LLC 2011.


Shaik B.,National Institute of Technical Teachers Training and Research | Singh J.,Amrapali Institute of Technology and science | Ahmad I.,A.P.S. University | Agrawal V.K.,National Institute of Technical Teachers Training and Research
Journal of the Indian Chemical Society | Year: 2011

The paper describes QSTR study for prediction of toxicity of a set of 21 aliphatic ethers. A detailed regression analysis of the training and test sets indicated that the best model is the two variable model for modeling the toxicity. The results are critically discussed using variety of statistical parameters.


Agrawal V.K.,National Institute of Technical Teachers Training and Research | Singh J.,Amrapali Institute of Technology and science | Shaik B.,National Institute of Technical Teachers Training and Research
Journal of the Indian Chemical Society | Year: 2011

The recently introduced Balaban F and G indices arc used for modeling mutagenicity of 95 aromatic and heteroaromic amines acting on Salmonella typhimurium. The correlation potential of both these indices with J index is first investigated and then their combinations are used for the mutagenic activity. The results are finally discussed using Ridge statistics.


Borkar M.A.,Amrapali Institute of Technology and science | Nitin,University of Nebraska at Omaha
Communications in Computer and Information Science | Year: 2011

The performance of multiprocessor systems is greatly dependent on interconnections and their fault tolerance ability. Handling faults becomes very important to ensure steady and robust working. This paper introduces, a new CGIN with at least 3 disjoint paths. It uses an alternate source at the initial stage, due to which at least 3 disjoint paths can be ensured. The network provides multiple paths between any source and destination pair. The alternate source guarantees delivery of packets to the intended destination, even if two switches or links fail. The alternate source proves quite helpful in case of any fault at initial stage, or the source is busy. In such cases, the packets can be retransmitted through the alternate source to avoid delayed delivery or starvation, which was not being used in original CGIN. This network also provides the dynamic re-routing to tolerate faults. The paper further presents two very simple routing strategies - first for routing in fault free environment and second for routing in faulty environment. © 2011 Springer-Verlag.


Singh J.,Amrapali Institute of Technology and science | Shukla S.K.,Jubilant Organosys Ltd. | Shaik B.,National Institute of Technical Teachers Training and Research | Agrawal V.K.,National Institute of Technical Teachers Training and Research
Oxidation Communications | Year: 2013

Modelling of calcium channel antagonists activity of 1,4-dihydropyridine (DHP) derivatives (41 compounds) was carried out using topological descriptors. A 6-parametric model containing Jhetm, Jhetp, 1χ , 0χv, 2χv and Sz as correlating parameters was found to be the best. The model was tested using cross-validation method.


Singh J.,Amrapali Institute of Technology and science | Shaik B.,National Institute of Technical Teachers Training and Research | Agrawal V.K.,National Institute of Technical Teachers Training and Research | Khadikar P.V.,National Institute of Technical Teachers Training and Research
Interdisciplinary Sciences: Computational Life Sciences | Year: 2012

Recently Balaban has introduced a J-type G index for modeling those properties/activities where not only the "shape" but also size of the graph influences the property/activity of organic compounds acting as drugs. Here, for the first time G index has been used for modeling the pancreatic β-cell KATP channel openers viz R/S-3,4-dihydro-2,2-dimethyl-6-halo-4-(substituted phenylaminocarbonylamino)-2H-1-benzopyrans. Modeling technology used in this paper has established that the referred activity is excellently modeled by using G as one of the correlating descriptors. The results are critically discussed using Ridge statistics. © 2012 International Association of Scientists in the Interdisciplinary Areas and Springer-Verlag Berlin Heidelberg.


Shaik B.,National Institute of Technical Teachers Training and Research | Singh J.,Amrapali Institute of Technology and science | Ahmad I.,National Institute of Technical Teachers Training and Research | Venkateshwar,National Institute of Technical Teachers Training and Research | Agrawal V.K.,National Institute of Technical Teachers Training and Research
Oxidation Communications | Year: 2013

The present study is based on 174 aromatic compounds containing phenols, nitrobenzenes and benzonitriles whose toxicity towards Tetrahymena pyriformis was modeled using physicochemical parameters. It has been found that MW, MR, MV, PC, IR,ST and density are the best suitable parameters for modelling the lg IGC-1 50 toxicity.


Pandey R.,Amrapali Institute of Technology and science | Pande N.R.,Amrapali Institute of Technology and science | Dhami H.S.,Kumaun University
Communications in Computer and Information Science | Year: 2011

Kumauni language is one of the relatively understudied regional languages of India. Here, we have attempted to develop a parsing tool for use in Kumauni language studies, with the eventual aim of developing a technique for checking grammatical structures of sentences in Kumauni language. For this purpose, we have taken a set of pre-existing Kumauni sentences and derived rules of grammar from them, which have been converted to a mathematical model using Earley's algorithm, suitably modified by us. The Mathematical model so developed has been verified by testing it on a separate set of pre-existing Kumauni language sentences. This mathematical model can be used for parsing new Kumauni language sentences, thus providing researchers a new parsing tool. © 2011 Springer-Verlag.

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