Table of Contents  
REVIEW ARTICLE
Year : 2011  |  Volume : 2  |  Issue : 1  |  Page : 11-20  

A review on worldwide essential software resources in pharmacy


1 Department of Pharmacology, Radharaman College of Pharmacy, Ratibad, Bhopal, Madya Pradesh, India
2 Institute of Pharmacy, Nirma University, Ahmedabad, Gujarat, India

Date of Web Publication14-Apr-2011

Correspondence Address:
Prashant Y Mali
Department of Pharmacology, Radharaman College of Pharmacy, Ratibad, Bhopal - 462 044, Madhya Pradesh
India
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Source of Support: None, Conflict of Interest: None


DOI: 10.4103/2229-5186.79344

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   Abstract 

Softwares are the collection of computer programs and related data that provide the instructions telling a computer what to do and thereby help to process the data as wanted. These programs are designed to address general and special purpose applications. Softwares used in pharmaceutical sciences cover wide subject areas such as pharmacology, pharmaceutical chemistry, pharmaceutics, pharmacognosy, pharmaceutical biotechnology, etc. Softwares used in pharmacology are mainly related to minimize the efforts needed in determining pharmacokinetic principles of particular drug in individuals, pathways of drug, and consequently, its adverse reactions. Applications of softwares in pharmaceutical chemistry are to elucidate various physiological properties of drugs and to predict activity values for new compounds within certain limits. They may be enormous assistance to those trying to generate the large databases from massive efforts in drug research. However, softwares used in pharmaceutics help for predicting the dissolution rate, biopharmaceutical characterization, accurate and precise stability profile, etc. of formulated dosage form. Softwares used in pharmacognosy give information on herb activity, interactions, mechanisms of action and supporting data underlying the use of herb for health. Wide applications of software in pharmaceutical biotechnology help to increase the predictability of results, identify genes, elucidate protein structure, identify genome responsible for expression of particular characteristics, etc. Hence, in the present article, we have enlisted the subject wise different software names, websites and their features used in the milieu of pharmacy.

Keywords: Resources and pharmacy, softwares, worldwide


How to cite this article:
Mali PY, Panchal SJ. A review on worldwide essential software resources in pharmacy. Chron Young Sci 2011;2:11-20

How to cite this URL:
Mali PY, Panchal SJ. A review on worldwide essential software resources in pharmacy. Chron Young Sci [serial online] 2011 [cited 2019 Dec 6];2:11-20. Available from: http://www.cysonline.org/text.asp?2011/2/1/11/79344


   Introduction Top


Now-a-days, it is feasible to understand the complex processes and manage materials, money and manpower effectively and efficiently only due to computer softwares in the field of pharmaceutical sciences. The computer softwares could help to relieve the physicians from routine documentation and other clerical functions, reducing errors and increasing accuracy in transmission and storage of data, and to reduce the usage of animals and chemicals, improve productivity and provide solutions for time consuming manual task, establish consistent standards and continuous monitoring or transactions, and easy and direct access to various information through remotely located terminals. It is practically impossible for everyone to find out relevant piece of information without facilitators or knowing a specific universal resource locator (URL), which could be a search engine and facilitates the ever changing global array of information not only in the milieu of pharmaceutical sciences but also in all the related subjects. [1],[2],[3] In the present article, we have enlisted the subject wise different software names, websites and their features used in the milieu of pharmacy. They are as follows.


   Pharmaceutics Top


ALOGPS

It interactively calculates and compares lipophilicity and aqueous solubility of chemical compounds using six programs, i.e. CLOGP, XLOGP, IA_logP, IA_logs, LOGKOW and ALOGPS.

http://www.vcclab.org 

Automated packaging component analyzer


It is used to automatically verify the incoming printed components against a pre-approved master.

http://www.novatech.co.uk/products 

Biopharmaceutics


It designed to introduce the applications of biopharmaceutics to oral drug delivery.

http://www.coacs.com/software/published_titles/products/pccal/biopharm.htm 

CALACO


It performs conversion in acceleration, angle, area, energy, length, power, pressure, speed, temperature, time, volume and weight.

http://www.vogelscientific.com

Environmental monitoring programme


It is capable of capturing all environmental data in a 21 CFR 11 compliant, fully validated system. It is envisioned for sterile and non-sterile health care industries based on the latest guidelines from FDA, EU, ISO 14644-1 and PDA Technical Report-13.

http://www.novatech.co.uk/products 

Finished product and raw material analyzer


It is used for capturing the test data from finished product testing. The application consists of product registration, monograph, certificate of analysis, etc.

http://www.novatech.co.uk/products 

Good manufacturing practice


It is intended to give an introduction to Good manufacturing practice (GMP) for medicinal products with respect to pharmaceutical industry.

http://www.coacs.com/software/published_titles/products/pccal/GMP.htm 

Introductory pharmacokinetics workshop


It introduces methods and principles involved in calculation of pharmacokinetic parameters such as clearance, half-life, elimination rate constant, volume of distribution and area under the curve.

http://www.coacs.com/software/published_titles/products/pccal/IPW.htm 

Laboratory safety


It covers basic laboratory safety, without examining specific hazards. It includes safety signs, basic first aid in the laboratory and the handling of equipment.

http://www.coacs.com/software/published_titles/products/pccal/safety.htm 

Methods of filling hard gelatin capsules


It covers all the operations performed by different types of filling machine in the delivery of variety of fill materials to hard gelatin capsules along with some general information applicable to the filling operation.

http://www.coacs.com/software/published_titles/products/pccal/filling.htm

Pharmacokinetics simulations


It simulates the plasma concentration-time profile tool to understand the basic pharmokinetic principles.

http://www.coacs.com/software/published_titles/products/pccal/pksims.htm 

pKa


It is a highly accurate and automated tool for predicting pKas for a wide range of molecules.

http://www.pharsight.com/products/prod.home.php 

SPSS


SPSS places constraints on internal file structure, data types, data processing and matching files which considerably simplify programming.

http://www.spss.com/spss 

Stability program application software


It manages day-to-day activities of stability department within the quality control and/or R & D divisions. According to latest guidelines from the FDA, TPP, ICH and EU among others pertaining to pharmaceutical, chemical, biological and biotechnological fields.

http://www.coacs.com

WinNonlin


It provides a complete solution with data management, statistical modeling and visualization tools in one

package.

http://www.pharsight.com/products/prod.home.php


   Pharmaceutical Chemistry Top


Auto nom

It is used to generate IUPAC names automatically from chemical structures.

http://www.mdl.com/products/knowledge/crossfire_beilstein/ 

CIARA


It stores chemical information and assists in planning chemical reactions. It eliminates tedious and time consuming work of calculating data such as molecular weights, moles, reactant amounts, percent yields, etc.

http://www.vogelscientific.com 

CLiDE


CLiDE is a document image processing software, which extracts content (i.e. structures, reactions and text) of chemistry documents.

http://www.chemstore.cambridgesoft.com/software/product.cfm?pid=269 

CHARMm CNX


It provides a vast range of functionality for molecular mechanics and dynamics simulation. It can also applied to diverse areas of research including protein modeling, nanotechnology and X-ray and NMR structure determination.

http://www.netsci.org/Resources/Software/index.html 

Chem draw PRO/Std


It is designed for chemists to draw chemical notations automatically.

http://www.cambridgesoft.com/products

ChemExper


It is free search tool for physical/chemical characteristics of some 60000 chemicals.

http://www.chemexper.com/

ChemKey


It is devoted to synthetic methodology, asymmetric synthesis, heterocyclic chemistry, organometallic chemistry, stereochemistry, etc.

http://www.euch6f.chem.emory.edu/ 

ChemSite


It is 3-D molecular modeling program for drawing, displaying and simulating the dynamic behavior of organic and biological molecules.

http://www.chemsw.com/10190.htm 

ChemSymphony


ChemSymphony is a platform independent set of interactive JAVA applets that allow 3-D molecular structures to be easily incorporated into HTML documents.

http://www.chemsymphony.com 

ChemTK


It is designed to visualize, organize and analyze chemical screening data.

http://www.chemtk.com 

ChromView


It imports GC and GC-MS data into other Windows applications such as MS Word, Excel or PowerPoint as high-resolution images.

http://www.chemsw.com/12148.htm 

ChemWeb


ChemWeb is a free chemistry drawing program for creation and transfer of 2-D chemical structures across the globe.

http://www.chemwindow.com

DEREK


It predicts the toxicological hazard of chemicals by analysis of their molecular structure.

http://www.netsci.org/Resources/Software/index.html 

DIVA


It analyzes chemical and biological data on the desktop.

http://www.netsci.org/Resources/Software/index.html 

DMax Chemistry assistant


It automatically finds, formulates, validates and shows scientific hypotheses that best match small molecule screening data.

http://www.pharmadm.com/DMaxChemistryAssistant .

asp

DTREG


It generates SVM decision tree and logistic regression models.

http://www.dtreg.com

ECHIP


It produces 3-D diagrams and 2-D contour plots.

http://www.echip.com

Equbits insight


It is an SVM based predictive modeling software application designed for HTS and ADME chemists.

http://www.equbits.com

EROS


Elaboration of Reactions for Organic Synthesis (EROS) is a computer-assisted synthesis program developed by Gasteiger et al., which uses a set of rules to propose synthetic routes.

http://www.chemie.uni-erlangen.de/ 

Felix


It is used for NMR data processing, visualization and analysis.

http://www.netsci.org/Resources/Software/index.html 

GC and GCMS file translator


It reads files from a variety of popular GCMS programs, which include Hewlett Packard Chemstation GC, Agilent (Hewlett Packard) Chemstation MS, Finnigan ITDS, etc.

http://www.chemsw.com/12149.htm 

GLIDE


It is used for docking. Docking procedure mainly helps in understanding the action of drug at the molecular level.

http://www.schrodinger.com 

hmo10


hmo10 is a Huckel molecular orbital calculator.

http://www.simtel.net/pub/pd/42108.html 

Insight II


It provides a powerful graphical interface to best of breed algorithms for molecular dynamics and homology modeling.

http://www.netsci.org/Resources/Software/index.html 

IMCS Live


It is a robust laboratory equipment calibration tracking and management software program that allows labs to automatically schedule periodic maintenance and inspection events using an extensive array of customizable reports.

http://www.chemsw.com/imcslive.htm 

Introduction to mass spectrometry


It covers the fragmentation patterns and interpretation of mass spectra.

http://www.coacs.com/software/published_titles/products/pccal/massspec.htm 

Introduction to NMR


It covers description on how NMR works, how NMR spectra interprets, use of delta values and how they are derived, etc.

http://www.coacs.com/software/published_titles/products/pccal/NMR.htm 

Introduction to pharmaceutical stereochemistry


It covers basic stereochemistry using examples relevant to pharmacy.

http://www.coacs.com/software/published_titles/products/pccal/stereochemistry.htm 

JChem


JChem is a package that contains Java applications and software development tools for chemistry.

http://www.jchem.com/examples.html 

Logic and heuristics applied to synthetic analysis


It is a sophisticated retrosynthetic analysis program which can be used to suggest novel synthetic routes.

http://www.lhasalimited.org 

Mathematics for pharmacists


It covers several basic mathematical concepts essential to complete calculations for pharmaceutical and life sciences.

http://www.coacs.com/software/published_titles/products/pccal/mathsforPharmacists.htm 

MDL-ISIS


It is an integrated scientific information system that serves powerful chemical structures, chemical reactions or 3-D model searching capabilities.

http://www.mdli.com  

MultiSimplex


It is new chemometric software for experimental design and optimization.

http://www.multisimplex.com

Nomenclature of organic compounds


It provides an alternative source of information to standard texts.

http://www.coacs.com/software/published_titles/products/pccal/nomenclature.htm 

Pharmaceutical analysis - titrimetry


It provides typical calculations of titrimetric assays found in British Pharmacopoeia.

http://www.coacs.com/software/published_titles/products/pccal/titrimetry.htm 

ProChemist


It is a 3-D molecular modeling program which includes pKa and solubility calculations, QSAR and chemometrics capabilities.

http://www.pro.chemist.online.fr 

Q-Chem


It allows researchers to quickly and accurately analyze molecules of several hundred atoms.

http://www.q-chem.com/ 

Qmol


Qmol is used for viewing molecular structures and animating molecular trajectories.

http://www.dnastar.com/qmol/ 

QuantiScan


QuantiScan has functionality similar to that of sophisticated densitometers but at a fraction of the cost. It is able to analyze a wide variety of materials including polyacrylamide and agarose gels, autoradiograms, TLC plates, etc.

http://www.biosoft.com/w/quantiscan.htm

Radiochemistry and radiopharmacy


It provides all the necessary knowledge required for UG and PG students to be able to handle radioisotopes both for laboratory work and in the hospital dispensary.

http://www.coacs.com/software/published_titles/products/pccal/radiochem.htm 

Shapes and mechanisms


It intends many animations to emphasize the significance of shape and reactivity within chemical systems.

http://www.coacs.com/software/published_titles/products/pccal/shapesandmechanisms.htm 

Simple halogen compounds


It covers halide structure, nomenclature, properties, uses and types of reaction that halides undergo. These reactions are illustrated using animations.

http://www.coacs.com/software/published_titles/products/pccal/halogencomps.htm 

SMOG


Structural Molecular Generation program exhaustively and non-redundantly generates chemical structures for a given molecular formula.

http://www.ccl.osc.edu/pub/chemistry/software/MS-DOS/SMOG 

Stat-200


Stat-200 incorporates all the descriptive statistics, parametric and non-parametric statistical tests, graphics and data transforms as per the need for processing, analyzing and presenting data.

http://www.biosoft.com/w/stat200.htm 

SYSTAT


It is designed for data management, exploratory data analysis, comprehensive statistics and high-quality

graphics.

http://www.spss.com

TOPKAT


It employs robust and cross-validated Quantitative Structural Toxicity Relationship (QTSR) models for assessing various measures of toxicity.

http://www.netsci.org/Resources/Software/index.html 

Tsar


Tsar is fully integrated 2-D QSAR package used for library design and lead optimization.

http://www.netsci.org/Resources/Software/index.html 

Using chromatographic data to calculate drug content in formulations


It focuses on calculations of the content of active ingredients in formulations using chromatographic data.

http://www.coacs.com/software/published_titles/products/pccal/chromatography.htm 

Vcharge


It calculates accurate, conformation-independent, partial atomic charges for an SD file of drug-like compounds in ~0.1 per compound. It is useful for a wide range of modeling and QSAR applications.

http://www.verachem.com/Vcharge 

Water!Pro


Water!Pro is a water quality modeling program designed to evaluate most chemical treatments that are applied to drinking water. [4],[5]

http://www.chemsw.com/11068.htm


   Pharmacology Top


Alternative therapies

It provides details on alternative therapies, e.g. Acupuncture, Aromatherapy, Osteopathy, Homeopathy and Hypnotherapy.

http://www.coacs.com/software/published_titles/products/pharmacalogy/alternative_therapies.htm 

Assay zap


It is a universal assay calculator for RIA, ELISA, IRMA or any other type of assay.

http://www.biosoft.com/w/assayzap.htm 

Basic histology of tissues


It is designed to introduce the histology of connective, nervous, muscle and epithelium tissues using text, line drawings (30+) and full-screen histology slides (40+).

http://www.coacs.com/software/published_titles/products/pccal/basichistology.htm 

Basic psycho-pharmacology


It introduces the clinical applications of psycho-pharmacology, e.g. the use of anxiolytics.

http://www.coacs.com/software/published_titles/products/pccal/psychopharm.htm 

Biological molecules


It provides the structures and properties of molecules which are common to all biological systems.

http://www.coacs.com/software/published_titles/products/pccal/biologicalMolecules.htm 

CalcuSyn


It is a definitive analyzer of combined drug effects, which is able to automatically quantify phenomena such as synergism and inhibition.

http://www.biosoft.com/w/calcusyn.htm 

CardioLab


It simulates chart recorder outputs of experiments on anesthetized and pithed animals. It can also mimic stimulation of vagal and sympathetic cardiac nerves.

http://www.biosoft.com/w/cardiolab.htm 

Clinical trials and drug development


It encompasses the principles of new drug development, human experimentation, clinical trials of therapy.

http://www.coacs.com/software/published_titles/products/pharmacalogy/clinicalTrials.htm 

COACS


It evaluates the impact of changing one or more pharmacokinetic parameters on the concentration-time profile of the drug. http://www.coacs.com

Dietary factors in drug metabolism


It is designed to show how dietary factors may affect the metabolism of drugs in the body.

http://www.coacs.com/software/published_titles/products/pharmacalogy/dietary_factors.htm 

Drug targets


It focuses on various signal transduction mechanisms associated with drug targets.

http://www.coacs.com/software/published_titles/products/pharmacalogy/Drug_Targets.htm 

EP-DOG


EP-DOG simulates the effects of various drugs on dog blood pressure and heart rate.

http://www.indphar.org/sware.htm 

EP-Heart for Windows 95/98/2000


EP-Heart simulates the effects of drugs like epinephrine, nor-epinephrine, etc. on frog's heart with feature of examination mode.

http://www.indphar.org/sware.htm 

ExPharm for Windows 95/98/2000


ExPharm is an educational software package which simulates the various animal experiments in pharmacology.

http://www.indphar.org/sware.htm 

Eye disorders


It is designed to study a variety of eye complaints, which includes stye, allergic and infective conjunctivitis.

http://www.coacs.com/software/published_titles/products/pccal/eyedisorders.htm  

Graph pad prism


It helps to organize, analyze and pick appropriate statistical tests and interpret results.

http://www.graphpad.com

Hypertension


It deals with the pathogenesis of hypertension and its management with special consideration of hypertension in pregnancy.

http://www.coacs.com/software/published_titles/products/pccal/hypertension.htm  

Ileum


It simulates the effects of drugs on guinea pig ileum in vitro.

http://www.biosoft.com/w/ileum.htm  

IPA-Tox


It is a data analysis capability within IPA that delivers a focused toxicity and safety assessment of candidate compounds that are being examined using toxicogenomics approaches.

http://www.ingenuity.com/products/ipa-tox.html  

Ligand binding


It covers ligand binding and its applications in pharmacology at elementary and advanced levels.

http://www.coacs.com/software/published_titles/products/pharmacalogy/ligandbinding.htm 

Local anaesthetics


It provides an overview of local anesthetic drugs and their clinical use.

http://www.coacs.com/software/published_titles/products/pharmacalogy/local_ana.htm 

MacDope


MacDope is a pharmacokinetic simulation of drug.

http://www.chime.ucl.ac.uk/resources/Models/ 

MacMan


MacMan is a simulation program of heart, peripheral circulation and arterial baroreceptors.

http://www.chime.ucl.ac.uk/resources/Models/ 

MacPee


MacPee is a simulation of heart, kidneys, body fluids, electrolytes and hormones.

http://www.chime.ucl.ac.uk/resources/Models/ 

MacPuf


MacPuf is a simulation of human respiration, gas exchange and control.

http://www.chime.ucl.ac.uk/resources/Models/ 

METEOR


It predicts metabolic fate of parent compounds.

http://www.chem.leeds.ac.uk

MLAB


MLAB is an ideal tool for solving simulation and modeling problems such as chemical kinetics, pharmacological compartmental models, multiple site ligand binding, neurophysiological modeling, etc.

http://www.civilized.com/

Movement disorders


It sets Parkinson's disease within the spectrum of movement disorders and uses high-quality graphics, text and animations.

http://www.coacs.com/software/published_titles/products/pharmacalogy/movementdisorders.htm 

NeuroSim


NeuroSim is intended for use in teaching neurophysiology at UG and PG level.

http://www.biosoft.com/w/neurosim.htm 

PakMed PakNeurol 01


It is the most widely used scoring system in quantifying level of consciousness following traumatic brain injury.

http://www.pakmed.net/access/index.html 

PakMed PakPsych 72


It is a set of three self-report scales designed to measure negative emotional states of depression, anxiety and

stress.

http://www.pakmed.net/access/index.html 

Peripheral blood flow


It helps to learn how to measure peripheral blood flow using this simple non-invasive technique.

http://www.coacs.com/software/published_titles/products/lsc/peripheralblood.htm 

PHARM/PCS


It evaluates drug action and safety in experiments on animals and humans.

http://www.pharmpcs.com/ 

PharmaCalc


PharmaCalc is a pharmacokinetic simulation based on a one-compartment model with linear kinetics.

http://www.pharma.ethz.ch/biopharmacy/research/Simulation/calcloadwin.html 

Pharmacology of asthma


It is used to assess respiratory function and peak flow. It is also used to study pathophysiological changes that lead to dyspnea and bronchial hyperresponsiveness.

http://www.coacs.com/software/published_titles/products/pharmacalogy/asthma.htm 

PharmaSim


PharmaSim is more complex pharmacokinetic simulation of drug plasma levels based on one or two compartmental models and assume first-order kinetics.

http://www.pharma.ethz.ch/biopharmacy/research/Simulation/pharmasim.html 

PharmTools Pro


It is based on drug synergism and dose-effect data analysis.

http://www.pharmsoft.net/

PharmaTutor


PharmaTutor is a simulation program having different program modules such as pharmacokinetics, blood pressure and catecholamine, dose-response curve and neuromuscular signal transmission.

http://www.pharma.ethz.ch/biopharmacy/research/Simulation/pharmatutor.html 

Qik Prop


Qik Prop has been designed for pharmacological considerations. It provides rapid ADME characteristic predictions of drug candidates.

http://www.netsci.org/Resources/Software/index.html 

Rat blood pressure


It simulates to demonstrate the effects of a variety of pharmacological agents/procedures on blood pressure and heart rate in anesthetized rat (in vivo).

http://www.coacs.com/software/published_titles/products/bioscience/ratbp.htm 

Series of simulations in human physiology


It is useful for better understanding of theoretical concepts of respiratory system physiology, acid-base balance, etc. in humans.

http://www.physiologyeducation.org/materials/simres.html 

Simulated water maze


It explains memory defects with detailed description on nature and use of a water maze.

http://www.coacs.com/software/published_titles/products/pharmacalogy/watermaze.htm 

Six second ECG and dynamic cardiac rhythm simulator


It is a human ECG learning software which simulates ECG of human in normal condition and with various cardiac arrhythmias.

http://www.skillstat.com/ECG_Sim_demo.html 

Synaptic transmission in the CNS


It aims to teach basic principles of chemical transmission at synapses in the CNS.

http://www.coacs.com/software/published_titles/products/pharmacalogy/CNSTransmission.htm 

The circulation


It is a highly interactive program designed to teach the basic physiology of circulation.

http://www.coacs.com/software/published_titles/products/bioscience/circulation.htm 

Thyroid hormones


It is designed to teach the basic physiology of the thyroid hormones, which includes location and structure of thyroid glands, synthesis, release, transport, mechanism of action and function of thyroid hormones.

http://www.coacs.com/software/published_titles/products/bioscience/thyroid.htm 

Virtual neuromuscular junction


It records the electrical potential associated with neuromuscular transmission at the skeletal neuromuscular junction either by nerve stimulation or by direct current stimulation of the muscle fibers.

http://www.spider.science.strath.ac.uk/PhysPharm/showPage.php?pageName=software_sims 

Virtual twich (rat nerve muscle preparation)


This program simulates muscle contractions by two different stimulations such as nerve and by direct electrical to muscle.

http://www.spider.science.strath.ac.uk/PhysPharm/showPage.php?pageName=software_sims 

Ulnar nerve conduction


It is designed to measure conduction velocity in motor fibers of peripheral nerves.

http://www.coacs.com/software/published_titles/products/lsc/ulnarnerve.htm 

UNISTAT


Various types of bioassays and effective dose (ED 50 ) applications can be analyzed using UNISTAT. [4],[5],[6],[7],[8]

http://www.unistat.com/


   Pharmacognosy Top


BioOffice

It includes taxonomists, collection managers, conservation biologists, ecologists and private collectors of biological data or objects and institutions such as universities, museums, national parks, governmental agencies.

http://www.biooffice.at/ 

Biota


Biota manages specimen-based spatially and taxonomically referenced data for ecologists, conservation biologists, evolutionary biologists, systematists, museums and herbaria.

http://www.viceroy.eeb.uconn.edu/biota 

DfD


DfD is offering a variety of nearest-neighbor and transect methods commonly used by ecologists to estimate animal and plant densities.

http://www.pisces-conservation.com/ 

SPECIFY


It specifies museum and herbarium research data processing. It is used for tracking specimens, tissue management transactions and for mobilizing species occurrence data on to the internet.

http://www.specifysoftware.org 

TreeMap


TreeMap is an experimental program for comparing host and parasite trees. [9],[10],[11],[12],[13]

http://www.taxonomy.zoology.gla.ac.uk/rod/treemap .

html


   Life Sciences Top


Abalone

Abalone is a program for molecular mechanics. It is designed for proteins and nucleic acid simulations.

http://www.agilemolecule.com/Abalone/index.html 

AMBER

It is designed to carry out molecular dynamics simulations on biomolecules.

http://www.ambermd.org 

AminoXpress

It is multi-functional biochemistry package integrated with modules such as amino acid analysis, mass fragmentation, HPLC retention pattern, etc.

http://www.aminoXpress.com 

Basic calculations in pharmacy

It covers basic calculations intended in pharmaceutical sciences.

http://www.coacs.com/software/published_titles/products/pccal/basicCalculations.htm 

Biomer

It is an online molecular modeling program used as biopolymer model builders (nucleic acids, proteins, and polysaccharides).

http://www.scripps.edu/~nwhite/Biomer/index.htmlf 

BioNumerics

It offers integrated analysis of all major applications in Bioinformatics. It combines information from various genomic and phenotypic sources into one global database and conducts conclusive analysis.

http://www.applied-maths.com/bionumerics/bionumerics.htm 

BOSS (molecular mechanics)

It is a general purpose molecular modeling program that performs molecular mechanics calculations.

http://www.en.wikipedia.org/wiki/BOSS_%28molecular_mechanics%29 

DDI module

It predicts drug-drug interactions (DDIs) among drugs and metabolites.

http://www.simulations-plus.com/Products.aspx?pID=11andmID=21 

EnzFitter

It is designed for analysis of enzyme kinetics experiments.

http://www.biosoft.com/w/enzfitter.htm

FigSys

It is designed for processing, analyzing and presenting data and creating science documents of all kinds.

http://www.biosoft.com/w/figsys.htm 

FlexS

FlexS predicts conformation and orientation of two ligands as assumed when they bind to a protein.

http://www.biosolveit.de/FlexS/ 

FlexX

It is an extremely fast and highly configurable program used for predicting protein-ligand interactions.

http://www.biosolveit.de/FlexX/

Fundamentals of data collection

It introduces the design of research and methods of data collection in social research. It includes survey design, questionnaires, data sampling, handling techniques, etc.

http://www.coacs.com/software/published_titles/products/derby/fundamentalsofdatacollection.htm 

GelCompar II

It offers an impressive list of unique advanced features of phylogenetic and dimensioning algorithms, group verification methods, database quality control techniques, GLP and database protection tools, history recording, etc.

http://www.applied-maths.com/gelcompar/gelcompar.htm 

Genchek

It is an integral database system that can used to access, store, organize and retrieve DNA, protein and vector sequences.

http://www.ocimumbio.com/web/bioinformatics/prod_details.asp?prod_id=27 

Genup

It is designed for quantitative genetics.

http://www.personal.une.edu.au/~bkinghor/genup.htm 

GenVision

It is a genomic visualization package designed to support easy generation of publication quality graphics and maps.

http:/www./biommed.lsu.edu/staticpages/index.php?page=GenVision  

Genowiz

It is a powerful gene expression analysis program that has been designed to store, process and visualize gene expression data efficiently.

http://www.ocimumbio.com/web/bioinformatics/prod_details.asp?prod_id=20

HyperTox

It is designed to assist in emergency management of acute clinical toxicology (poisoning) experiments.

http://www.hypertox.com/

Metabolism and transporter module

It is an optional module that extends the capabilities of GastroPlus to include saturable metabolism (gut, liver,

and/or any PBPK tissue), saturable carrier-mediated transport by both influx- and efflux-proteins and metabolite tracking.

http://www.simulations-plus.com/Products.aspx?pID=11andmID=9 

MPSA

MPSA is a software intended to protein sequence analysis.

http://www.hpc.unm.edu/~aroberts/main/mac_software.htm

MolSuite

It gives molecular modeling with great graphics, physical property calculations, database development and management, all in one complete package

http://www.chemsw.com/12258.htm 

Molecular modeling pro

It display molecules as wire frame, ball and stick, spheres and dot surface models.

http://www.chemsw.com/13052.htm 

Molecular visualization freeware

It is a software for looking at macromolecular structure and its relation to function.

http://www.umass.edu/microbio/rasmol/ 

PakMed PakNutri 12

It is a nutritional database presenting nutritional composition of more than 6000 food items for 44 nutrients/food components.

http://www.pakmed.net/access/index.html 

PBPKPlus module

It simulates the plasma and tissue concentration-time profiles.

http://www.simulations-plus.com/Products.aspx?pID=11andmID=7 

Pharmaceutical microbiology assessment

It consists of series of self-assessment questions on various aspects of pharmaceutical microbiology.

http://www.coacs.com/software/published_titles/products/pccal/microbiology.htm 

ProFIT

Protein Fold Identification Tool conducts threading based on an empirical energy function.

http://www.came.sbg.ac.at/software/Profit/profit.html 

SigmaPlot

It produces high-quality graphs of research data without spending hours in front of the computer.

http://www.biommed.lsu.edu/staticpages/index.php?page=SigmaPlot 

TINKER

It is molecular mechanics and molecular dynamics simulation with complete special features of biopolymers. [4],[5],[14],[15],[16]

http://www.en.wikipedia.org/wiki/TINKER


   Conclusion Top


Therefore, utilization of computer softwares in pharmaceutical sciences is huge across the globe. These internet web resources will also helpful to various organizations, industries, laboratories, researchers, teachers, students, doctors, pharmacists, layman, lawyers and higher authorities, etc. and for all those who are directly or indirectly working in the field of pharmacy, medical, paramedical, engineering, life and other allied subjects, for reshaping and remolding their needs.

 
   References Top

1.Mali PY, Bigoniya P, Panchal SJ. Applications of computer in pharmaceutical management system. Pharma News Lett 2010;2:6-7.  Back to cited text no. 1
    
2.Mali PY. Internet: The pharmacy and healthcare system information resource. Pharma Rev 2007;5:114-6.  Back to cited text no. 2
    
3.Mali PY. Internet: The global pharmaceutical information resource. Environ Degrad Manage 2007;3:89-94.  Back to cited text no. 3
    
4.Kshirsagar SJ, Gaitonde PU, Gala SH. A glimpse of some softwares used in pharmacy. Indian J Pharm Educ Res 2008; 42:404-12.  Back to cited text no. 4
    
5.Available from: http://www.netsci.org/Resources/Software/index.html. [cited in 2011 Jan 8-9].  Back to cited text no. 5
    
6.Patel JL, Patel LD. Freely available web resources including simulation softwares and their application in pharmacy education for reducing the animal use with increasing the teaching quality. Indian J Pharm Educ Res 2007;41:52-61.  Back to cited text no. 6
    
7.Available from: http://www.coacs.com/software/published_titles/pharmacology_menu.htm. [cited in 2011 Jan 9].  Back to cited text no. 7
    
8.Available from: http://www.pharmsoft.net. [cited in 2011 Jan 9].  Back to cited text no. 8
    
9.http://www.biooffice.at/. [cited in 2011 Jan 8]  Back to cited text no. 9
    
10.http://www.viceroy.eeb.uconn.edu/biota. [cited in 2011 Jan 8]  Back to cited text no. 10
    
11.http://www.pisces-conservation.com/. [cited in 2011 Jan 8]  Back to cited text no. 11
    
12.http://www.specifysoftware.org. [cited in 2011 Jan 8]  Back to cited text no. 12
    
13.http://www.taxonomy.zoology.gla.ac.uk/rod/treemap. html. [cited in 2011 Jan 8]  Back to cited text no. 13
    
14.http://www.cambridgesoft.com/products. [cited in 2011 Jan 9]  Back to cited text no. 14
    
15.http://www.novatech.co.uk/products. [cited in 2011 Jan 9]  Back to cited text no. 15
    
16.http://www.en.wikipedia.org/wiki/TINKER. [cited in 2011 Jan 9]  Back to cited text no. 16
    




 

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    Abstract
    Introduction
    Pharmaceutics
    Pharmaceutical C...
    Pharmacology
    Pharmacognosy
    Life Sciences
    Conclusion
    References

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