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How IT Helps Solve Pharma's R&D Problems: in silico Drug Discovery

ore predictive to increase the number of drug successes 15

The use of virtual models is rare during target identification and validation 16

The greatest bottlenecks reside in lead generation and optimization 16

Poor ADMET is the cause of majority of drug failures in late-stage development 17

Systems biology and the 'omics' add another layer to in silico technologies 18


Drug discovery requires high performance computing 19

Cloud computing is facilitating the use of predictive modeling and molecular simulations 19

Amazon is the current mainstream cloud provider for the life sciences industry 20

Pre-built versus custom models - different needs for different companies 20

Companies are debating between building their own models or seeking external services 21

Data management is the backbone of in silico research 21

In silico technologies must offer benefits across the R&D spectrum 21

Target identification and validation are not high on the priority list for in silico model development 22

Computer simulations and modeling must complement high throughput screening 22

In silico needs to provide predictive ADMET earlier in the discovery and development process 22

In silico must go beyond traditional drug discovery 22

The complexity of drug discovery has resulted in a diverse vendor market 23


Recommendations for pharma and biotech companies 25

With R&D productivity hitting rock bottom, research must incorporate in silico methods 25

Scientists must test the waters before making a final decision on in silico technologies 25

Collaboration with the larger research community and technology vendors is a necessity for growth 26

Recommendations for vendors 26

Vendors must engage with customers as if they too were part of

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