Abstract: A method and system for harvesting molecular structures from non-editable documents is disclosed herein. A non-editable storage document is fed by a feeder which is received by a receiver. The molecular and non-molecular data contained in the non-editable storage document is recognized. The three-dimensional coordinates of the molecular data is separated using a pattern recognition. The molecular coordinates are encoded by a pattern sequence. A bond matrix data of the encoded data is generated. Subsequently the bond matrix data for accuracy is verified by comparing with a stored standardized data into a library.

Abstract: A method and system for harvesting molecular structures from non-editable documents is disclosed herein. A non-editable storage document is fed by a feeder which is received by a receiver. The molecular and non-molecular data contained in the non-editable storage document is recognized. The three-dimensional coordinates of the molecular data is separated using a pattern recognition. The molecular coordinates are encoded by a pattern sequence. A bond matrix data of the encoded data is generated. Subsequently the bond matrix data for accuracy is verified by comparing with a stored standardized data into a library.

Abstract: An Internet of Things (IoT) based system for remotely monitoring and controlling various physical parameters for chemical/biological material under transportation in a container is disclosed herein. Due to various circumstances, wither hazardous or infectious, taking proper measures becomes a necessary condition while transporting chemical or biological materials. The sensors attached to the container measure the associated physical parameters and send the data to a remote control system. The dynamic barcode responds to the change in any of the parameters and changes its patterns accordingly. The remote server, based on the received data, instructs a controlling system to control the parameters, thus maintaining the health of the material.

Abstract: An automated method for remote computing of molecular docking and dynamics from one or more jobs in a network of plurality of users. The invention employs a system to execute the method comprising at least one user device, a remote computing server and a remote database. The job defining action tags are received and scanned by the remote server. A semantic analysis is performed on the jobs to distinguish between customized and non-customized tasks. A data analysis of the jobs is packaged in a compressed format. The user is continually updated of the job status. A public link is generated and sent to the user to download the results. The link is disabled after the downloading of the results to ensure the security of the data. The method avoids any duplication of jobs and can be performed even when the user is offline.

Abstract: An Internet of Things (IoT) based system for remotely monitoring and controlling various physical parameters for chemical/biological material under transportation in a container is disclosed herein. Due to various circumstances, wither hazardous or infectious, taking proper measures becomes a necessary condition while transporting chemical or biological materials. The sensors attached to the container measure the associated physical parameters and send the data to a remote control system. The dynamic barcode responds to the change in any of the parameters and changes its patterns accordingly. The remote server, based on the received data, instructs a controlling system to control the parameters, thus maintaining the health of the material.

Abstract: An automated method for remote computing of molecular docking and dynamics from one or more jobs in a network of plurality of users. The invention employs a system to execute the method comprising at least one user device, a remote computing server and a remote database. The job defining action tags are received and scanned by the remote server. A semantic analysis is performed on the jobs to distinguish between customized and non-customized tasks. A data analysis of the jobs is packaged in a compressed format. The user is continually updated of the job status. A public link is generated and sent to the user to download the results. The link is disabled after the downloading of the results to ensure the security of the data. The method avoids any duplication of jobs and can be performed even when the user is offline.

Abstract: The invention discloses a method to generate and analyze NMR chemical shift based binary fingerprints for virtual high throughput screening in drug discovery. Further, the invention provides a method to analyze NMR chemical shifts based binary fingerprints that has implications for encoding several properties of a molecule besides the basic framework or scaffold and determine its propensity towards a particular bioactivity class.

Abstract: The invention discloses a method to generate and analyze NMR chemical shift based binary fingerprints for virtual high throughput screening in drug discovery. Further, the invention provides a method to analyze NMR chemical shifts based binary fingerprints that has implications for encoding several properties of a molecule besides the basic framework or scaffold and determine its propensity towards a particular bioactivity class.