FIELD OF DISLCOSURE
The present disclosure refers to a system and a method for Molecular Viewer/Editor application integration with Pharmaceutical PLM
BACKGROUND
Drug design is an iterative process which begins when a chemist identifies a compound that displays an interesting biological profile and ends when both the activity profile and the chemical synthesis of the new chemical entity are optimized. Traditional approaches to drug discovery rely on a step-wise synthesis and screening program for large numbers of compounds to optimize activity profiles. From the last many years, scientists have started using computer models of new chemical entities to help define activity profiles, geometries and reactivities.
Many a time a drug formulation during a life cycle translation is lost. There is no single collaborative platform where the Pharma Scientists, Pharmaceutical Engineer and Lab Testing Professional can collaborate for higher productivity. In the prevailing Pharma Drug Discovery practices, there is no mechanism which provides the easy traceability between the drug Discovery & development phases and the version of drug formulation used.
PLM applications are traditionally used in Automotive/Aerospace & Defense for managing the product data and recently made appearance in pharmaceutical world. PLM is found to be very successful in reducing the product cycle time reduction, reducing cost and enhanced quality of the product.

In the recent past, pharmaceutical companies have started looking to reap the benefit of using PLM applications for streamlining their new / generic drug development research and development processes by culling out and integrating molecular viewer/editor application with the pharmaceutical PLM application to facilitate easy viewing/editing of the molecule for enhanced collaboration during research and development phase of the drug.
There is a wide compass of benefits that the instant invention seeks to achieve. Pharma PLM is used only for project management, storing the packaging and collateral information currently. With the proposed integration the dug formulation can be made available as a standard data. This entails efficient product data management. Alongside it also provides a common integrated platform for viewing /editing of the molecules inside pharma PLM application. It also seeks for molecule version control, molecule access control, helps in reducing quick turnaround time, in building enhanced collaborative drug development platform among research and development teams, in off shoring and outsourcing of drug development research work to increase profit margins. Amongst others it also benefits in better molecular visualization during srug engineering/manufacturing, in better manufacturing planning and execution in primary and secondary drug, in systematic use of genetic and other information of an individual to select or optimize the patient's therapeutic care.

SUMMARY
The traditional approaches to drug discovery rely on a step-wise synthesis and screening program for large numbers of compounds to optimize activity profiles in a manual or semi automotive way. The Molecular Viewer /Editor Applications work in isolation and there is no integrated platform to facilitate viewing/editing of the molecules, which can used by the research & development teams
The proposed integration of Molecular Viewer/Editor application with Pharmaceutical PLM will provide the integrated Drug development platform, which will allow viewing or editing of the molecules directly in the PLM application, it being a secured place to hold the Drug development data.
The instant invention provides easy & secured viewing /editing of the molecule directly in the PLM application to avoid data errors,a single version of truth for holding the Drug development research data
The instant invention helps in faster drug discovery using molecular modeling programs better known as CADD or CAMD by way of enhanced collaboration among the research scientists. An extrapolation of this helps to facilitate the attribute data associated with molecular design to flow seamlessly into the PLM system.
These editors do not provide an integration features with PLM (Pharma PLM) and there are no viewers available for visualizing the formulation data from PLM environment.

The existing state of art is impregnates with numerous Molecular Viewer/Editor applications but none of them can be integrated to the PLM application in Pharmaceutical , neither do they teach about the values, which can be derived by facilitating this kind of integration. The pharmaceutical scientist, project managers and change analyst and the formulation data tend to remain disjointed.
The instant invention teaches a concept and an approach to enable PLM viewer/Editor application integration with PLM applications for pharmaceutical.
It also envisages a software solution that demonstrates business values and capabilities of the integration solution between a Molecular Viewer/Editor Application.
The technical architecture consists of client component, server
component and optional component of Molecular viewer for specific
format.
The Client component lies integrated on top of a specific molecular
editor. It presents in form of a menu with actions like get latest
formulation, update formulation to PLM, Lock formulation for
update and delete existing formulation.
Once a particular action is selected, the data of drug formula from molecular editor is taken in a particular neutral format like CML. The action and data is sent together to the server component.
Server side component is consisting of a listener thread which is waiting for request from client side. Depending upon the action specified server takes corresponding actions. If get latest is selected then server takes latest data from the product data component like

drug formula/ recipe management / Bill of ingredients and returns to the client along with the success message.
This also checks if the request is coming from a valid client. In case there is problem with authentication then authentication error message is presented to the client component.
If there is request to update the formulation then a new version is created and data is updated, the client is sent the success message. If a user wants to view already existing drug formulation available in PLM, same could be made available using the viewer plug-in. This way every important stakeholder can visualize the formulation over the web when provided with appropriate access.
If there is more than one person working on the formulation, then they are provided with a inbuilt version controlling feature of PLM. In case it is required to parse the drug formulation file and create some data in PLM, same is possible by writing a XML parser to read the file and load the data in PLM database. Along with the design data, there could be various attributes related to drug design which can be transferred into PLM system which adds value in creating an efficient Product Data Management System.
The instant invention embarks on the following:
Adding New Formulation - New formulation is discovered by the scientist. Pharmaceutical engineer creates a molecular model in Molecular Editor. An initial baseline is created in PLM through integrated environment which is available for various stakeholders for review purpose.

Revising Existing Formulation - A change is initiated by giving reference to already existing formulation. Engineer analyzed the change and gets the latest formulation from PLM using molecular editor, updates the change in editors and checks in the file in PLM. Once the change is approved by the change analyst a new baseline is created in PLM.
BRIEF DESCRIPTION OF DRAWINGS:
The detailed description is described with reference to the accompanying figures. In the figures, the left-most digit(s) of a reference number identifies the figure in which the reference number first appears. The same numbers are used throughout the drawings to reference like features and components.
Figure 1: illustrates a diagram representation for computer aided drug design with molecular viewer/editor in an integrated PLM environment.
Figure 2: illustrates a block diagram representation for technical architecture of molecular viewer/editor integration with PLM.
Figure 3: illustrates a flow diagram for using molecular editor integration with PLM.

DETAILED DESCRIPTION:
The following discussion provides a brief, general description of a
suitable environment in which various embodiments of the present
disclosure can be implemented. The aspects and embodiments are
described in the general context of computer executable
mechanisms such as routines executed by a general purpose
computer e.g. a server or personal computer. The embodiments
described herein can be practiced with other system configurations,
including internet appliances, hand held devices, multi-processor
systems, microprocessor based or programmable consumer
electronics, network PCs, mini computers, mainframe computers
and the like. The embodiments can be embodied in a special
purpose computer or data processor that is specifically
programmed configured or constructed to perform one or more of the computer executable mechanisms explained in detail below.
Figure 1 illustrates a simplistic view of a computer aided drug design with molecular viewer/editor in an integrated PLM environment. It embodies a PLM environment (101) consisting of pharma applications, pharma scientist, pharmaceutical engineer, change analyst, pharmaceutical manufacturing engineer interfacing with a PLM application (102). The PLM application (102) comprises steps of discovery, pre-clinical, primary manufacturing, clinical trial and secondary manufacturing. A Molecular viewer editor ( 103) integrated in the PLM application( 102) and consists of a popular molecular dynamics software in the likes of Ablone,AMBER,COSMOS,Kalypso,Materials,Studio,MACSIMUS,My naxMix, NEWTON-X, ORAC, YASARA etc. and also consists od

popular molecular modeling software Autodoc, BOSS, Chimera, GAUSSIAN, MollDE , ROSETTA, TURBOMOL etc. The data transfer between the PLM environment and PLM application along with Molecular Viewer/ Editor employs the format of Chemical Markup Language (CML), Protein Data Bank (PDB).
Figure 2 illustrates a technical architecture of molecular viewer/editor integration with PLM (200). A Client component (202) lies integrated on top of a specific molecular editor (201). It presents in form of a menu with actions like get latest formulation, update formulation to PLM, Lock formulation for update and delete existing formulation (203).
Once a particular action is selected, the data of drug formula from molecular editor is taken in a particular neutral format like CML, as detailed in figure 1. The action and data is sent together to a server component (204).
Server side component (204) is consisting of a listener thread which is waiting for request from client side. Depending upon the action specified server takes corresponding actions. If get latest is selected then server takes latest data from the product data component like drug formula/ recipe management / Bill of ingredients and returns to the client along with the success message.
This also checks if the request is coming from a valid client. In case there is problem with authentication then authentication error message is presented to the client component (202).
If there is request to update the formulation then a new version is created and data is updated, the client is sent the success message.

If a user wants to view already existing drug formulation available in PLM (203), same could be made available using the viewer plug-in. This way every important stakeholder can visualize the formulation over the web when provided with appropriate access.
If there is more than one person working on the formulation, then they are provided with an inbuilt version controlling feature of PLM (102).
In case it is required to parse the drug formulation file and create some data in PLM (102), same is possible by writing a XML parser to read the file and load the data in PLM database. Along with the design data, there could be various attributes related to drug design which can be transferred into PLM system which adds value in creating an efficient Product Data Management System.
Figure 3 illustrates a self explanatory flow diagrammatic representation of using molecular editor integration with PLM(300). It shows the steps that are used to integrate molecular viewer (103) with the pharmaceutical PLM (102). The scientist upon discovering the drug formulation, post which the component of the PLM environment come into play. An engineer creates a model using integrated molecular editors after which the model is checked into PLM repository with the initial baseline. It displays a success or a failure message at the client component (202). Alongside it also brings about any modification required in the drug formulation. The engineer receives the latest model from the PLM. The engineer changes the model using molecular editor and updates back in PLM. The Analyst compares and validates the change to baseline design. Lastly, the user with the help of molecular viewer can view web based plug -in/applet.

The present invention is not to be limited in scope by the specific embodiments and examples which are intended as illustrations of a number of aspects of the invention and all embodiments which are functionally equivalent are within the scope of this invention. Those skilled in the art will know, or will be able to ascertain using no more than routine experimentation, many equivalents to the specific embodiments of the invention described herein. These and all other equivalents are intended to be encompassed by the following claims.

WE CLAIM:
1. A method for integrating pharmaceutical product lifecycle
management (PLM) applications with molecular
viewer/editor applications comprising the steps of:
a) discovering drug formulation;
b) creating a molecular model of the drug formulation;
c) verifying the model with a reference data stored in the PLM repository;
d) initiating a change in the drug formulation based on the reference data;
e) analyzing and updating the change in the PLM; and
f) storing the updated change as a new reference data in the PLM.

2. The method as claimed in claim 1, wherein the steps from a) to b) involve a particular neutral format like Chemical Markup Language (CML).
3. The method as claimed in claim 1, wherein the steps from a) to b) involve a client component method and a server component method.
4. The method as claimed in claim 3, wherein the steps from a) to b) comprise the server component method consisting of a listener threads which waits for request from the client component method.
5. The method as claimed in claim 1, wherein the step of discovering drug formulation involves creating an initial

baseline in the PLM through integrated environment made available for various stakeholders for review purpose.
6. The method as claimed in claim 1 .wherein the step of
creating a molecular model of the drug formulation involves:
getting latest formulation;
updating formulation to the PLM; locking formulation for update and deleting existing formulation.
7. The method as claimed in 1, wherein the step of verifying the model with a reference data stored in the PLM repository involves a confirmatory check on the validity of the client component method.
8. The method as claimed in claim 1 and claim 7, wherein the server component method displays an error message to the client component method upon encountering an authentication problem.
9. The method as claimed in claim 1,wherein the step of initiating a change in the drug formulation based on the reference data comprises:
checking of model into the PLM repository with initial
baseline;
initiating changes in drug formulation;
feeding the latest model into the PLM repository;
changing the model using the molecular viewer/ editor
applications;

10. The method as claimed in claim 1 , wherein the step of analyzing and updating the change in the PLM method involves making an already existing drug formulation in the PLM available to a user thus providing an appropriate access to the formulation over the web
11. The method as claimed in claim 10, wherein the step comprises:
making available already existing drug formulation in the
PLM;
providing an inbuilt version for controlling feature of PLM in
case of more than one person working on the formulation
and
parsing the drug formulation file.
12. The method as claimed in claim 1, wherein the wherein the step of analyzing and updating the change in the PLM method involves revising existing formulation.
13. A system and an architecture for integrating pharmaceutical product lifecycle management (PLM) applications with molecular viewer/editor applications comprising the units of:

a) A client component configured to discover drug formulation;
b) An integrated molecular editor and the client component configured to create a molecular model of the drug formulation;
c) The server component configured to verify the model with a reference data stored in the PLM repository;

d) The client and the server component configured to initiate a change in the drug formulation based on the reference data;
e) The server component and the integrated molecular editor configured to analyze and update the change in the PLM; and
f) The server component configured to store the updated change as a new reference data in the PLM.

14. The system as claimed in claim 13, wherein the unit of client component lies integrated on top of the unit of molecular editor.
15. The system as claimed in claim 13, wherein the units from a) to b) employ and implement in a particular neutral format like Chemical Markup Language (CML).
16. The system as claimed in claim 13, wherein the unit of client component is configured to a client component method and the unit of server component is configured to the server side component method, the units consisting of a listener threads which waits for request from the client component method.
17. The system as claimed in claim 13, wherein the unit of client component is configured to discover drug formulation involves creating an initial baseline in the PLM through integrated environment made available for various stakeholders for review purpose.

18. The system as claimed in claim 13, wherein the unit of
integrated molecular editor and the unit of client component
are configured to create a molecular model of the drug
formulation are further configured to :
getting latest formulation; updating formulation to the PLM; locking formulation for update and deleting existing formulation.
19. The system as claimed in claim 13, wherein the unit of server component is configured to verify the model with a reference data stored in the PLM repository involving a confirmatory check on the validity of the client component.
20. The system as claimed in claim 13 and claim 19, wherein the unit of server component displays an error message to the client component upon encountering an authentication problem.
21. The system as claimed in claim 13,wherein the unit of client component and the server component are configured to initiate a change in the drug formulation based on the reference data are further configured to perform :
checking of model into the PLM repository with initial
baseline;
initiating changes in drug formulation;
feeding the latest model into the PLM repository using
molecular editor;
changing the model using the molecular viewer/ editor
applications

22. The system as claimed in claim 13 , wherein the unit of server component and the unit of integrated molecular editor are configured to analyze and update the change in the PLM application involving making an already existing drug formulation in the PLM available to a user thus providing an appropriate access to the formulation over the web
23. The system as claimed in claim 22, wherein the unit of server component and the unit of integrated molecular editor is further configured to :
making available already existing drug formulation in the
PLM;
providing an inbuilt version for controlling feature of PLM in
case of more than one person working on the formulation and
parsing the drug formulation file.
24. The system as claimed in claim 13, wherein the unit of
server component and the integrated molecular editor are
configured to analyze and update the change in the PLM are
also configured to revising exiting formulation.
Dated this 30th day of June 2011
Of Anand and Anand Advocates Agents of the Applicant