APPLICATIONS OF DATA MINING TECHNIQUES IN

PHARMACEUTICAL INDUSTRY

ABSTRACT

Almost two decades ago, the information flow in the pharmaceutical industry was relatively
simple and the application of technology was limited. However, as we progress into a more
integrated world where technology has become an integral part of the business processes, the
process of transfer of information has become more complicated. Today increasingly
technology is being used to help the pharmaceutical firms manage their inventories and to
develop new product and services. The implications are such that by a simple process of
merging the drug usage and cost of medicines (after completing the legal requirements) with the
patient care records of doctors and hospitals helping firms to conduct nation wide trials for its
new drugs. Other possible uses of information technology in the field of pharmaceuticals
include pricing (two-tier pricing strategy) and exchange of information between vertically
integrated drug companies for mutual benefit. Nevertheless, the challenge remains though data
collection methods have improved data manipulation techniques are yet to keep pace with them.
Data mining fondly called patterns analysis on large sets of data uses tools like association,
clustering, segmentation and classification for helping better manipulation of the data help the
pharma firms compete on lower costs while improving the quality of drug discovery and
delivery methods. A deep understanding of the knowledge hidden in the Pharma data is vital to
a firms competitive position and organizational decision-making. The paper explains the role
of data mining in pharmaceutical industry.
The paper presents how Data Mining discovers and extracts useful patterns from this large data
to find observable patterns. The paper demonstrates the ability of Data Mining in improving the
quality of decision making process in pharma industry.
Keywords: Data Mining, drug discovery, pharma industry.
highly subjective (Fayyad, Piatsky Shapiro and
Smyth, 1996). Data Mining, popularly called as
knowledge discovery in large data, enables firms
and organizations to make calculated decisions by
assembling,
accumulating,
analyzing
and
accessing corporate data. It uses variety of tools
like query and reporting
tools, analytical

1. INTRODUCTION.
Data Mining is the process of extracting
information from large data sets through the use of
algorithms and techniques drawn from the field of

Statistics, Machine Learning and Data Base

Management Systems (Feelders, Daniels and

Holsheimer, 2000). Traditional data analysis

processing tools, and Decision Support System
methods often involve manual work and (DSS) tools.
interpretation of data that is slow, expensive and

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Recently, numerous experts have predicted that

revenue growth for the pharmaceutical industry
will slow from the healthy 12% rate to a much
slower 5-6% rate. (Cosper Nate, 2003) describes
this trend, which is becoming increasingly
accepted, has numerous implications for the drug
discovery technologies companies. Most

skilled modelers in a pharmaceutical companys

bioinformatics division.
The paper discusses how Data Mining
discovers and extracts useful patterns from this
large data to find observable patterns. The paper
demonstrates the ability of Data Mining in
improving the quality of decision making process
in pharma industry.

significantly,
slower
revenue
growth will
necessitate decreased expenditures throughout the

organization. Many drug discovery technology

companies are attempting to address this challenge
through developing solutions that will force new
drugs to "fail faster and safer." Although this is a
noble goal and if realized, would definitely create
value for the industry, these solutions often overpromise and underestimate the obstacles that stand
in the path to lower clinical failure rates.
Marketing strategies centered on increasing
revenues will be more convincing than those that
address reducing expense. Demonstrating that
technologies
will
enable
pharmaceutical
companies to better target and market to certain
customer segments will increase adoption of that
technology, and will open the door for projects
aimed at reducing costs and increasing clinical
trials throughput.

The rest of the paper is organized as

follows. Section 2 focuses on data mining and its
techniques. Section 3 describes the relevance of
data mining techniques in pharma industry.
Section 4 briefly explains the difference between
statistics and data mining. Section 5 concludes the
paper.
2. DATA MINING TECHNIQUES.
Pharma industries rely on decisionoriented, systemic selection models that enable the
decision maker to evaluate the payoff that is
expected to result from the implementation of a
proposed selection program. Such models go
beyond an examination of the size of the validity
coefficient and take a host of issues such as capital
budgeting and strategic outcomes at the group and
organizational levels. Many organizations generate
mountains of data about their new drugs
discovered and its performance reports, etc. This
data is a strategic resource. Now, making use of
most of these strategic resources will lead to
improving the quality of pharma industries.

The importance of decision support in the

delivery of managed healthcare can hardly be
overemphasized (Hampshire and Rosborough,
1993). A variety of decision support capabilities
will be necessary to increase the productivity of
medical personnel, analyze care outcomes, and

continually refine care delivery processes to

remain profitable while holding the line on costs
and maintaining quality of care (Dutta and Heda,
2000). Healthcare decision support is faced with
the challenges of complex and diverse data and
knowledge forms and tasks (Prins and Stegwee,
2000, Sheng, 2000), the lack of standardized
terminology compared to basic sciences, the
stringent performance and accuracy requirements
and the prevalence of legacy systems (Sheng,
2000).

(Feelders, Daniels and Holsheimer, 2000) give six

important steps in the Data Mining process as
1. Problem Definition.
2. Knowledge acquisition.
3. Data selection.
4. Data Preprocessing.
5. Analysis and Interpretation.
6. Reporting and Use.
(Berthold Michael and Hand David, 1999) identify
the Data Mining process as
1. Definition of the objectives of the analysis.
2. Selection &Pretreatment of the data.
4. Explanatory analysis.
5. Specification of the statistical methods.
6. Analysis of the data.
7. Evaluation and comparison of methods.
8. Interpretation of the chosen model.

Data mining the life sciences researcher

to mine data to understand safety and efficacy
profiles within the patient population. By tackling
the question of patient selection within the
framework of demonstrating groups that are most
responsive, Data mining is sure to penetrate the
drug development marketplace. Data mining
framework enables specialists to create customized
nodes that can be shared throughout the
organization, making the application attractive to

The techniques and methods in Data Mining need

brief mention to have better understanding.

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(A) ASSOCIATIONS, MINING FREQUENT

PATTERNS.

3. DATA MINING AND STATISTICS.

The ability to build a successful
predictive model depends on past data. Data
Mining is designed to learn from past success and
failures and will be able to predict what will
happen next (future prediction). One may think
why use Data Mining in pharma industry
organizations when statistical analysis is already
been performed. The Data Mining tool checks the
statistical significance of the predicted patterns and
reports.

These methods identify rules of affinities

among the collections. (Hand, Mannila and Smyth,

2001) mention that patterns occur frequently

during Data Mining process. The applications of
association rules include market basket analysis,
attached mailing in direct marketing, fraud
detection, department store floor/shelf planning etc.
(B) CLASSIFICATION AND PREDICTION.
The classification and prediction models
are two data analysis techniques that are used to
describe data classes and predict future data
classes. A credit card company whose customer
credit history is known can classify its customer
record as Good, Medium, or Poor. Similarly, the
income levels of the customer can be classified as
High, Low, and Medium. (Adriaans Peiter and
Zantinge Dolf, 2005) explain that if we have
records containing customer behavior and we want
to classify the data or make prediction, we will
find that the tasks of classification and prediction
are very closely linked. The models of decision
trees, neural networks based classifications
schemes are very much useful in pharma industry.
Classification works on discrete and unordered
data, while prediction works on continuous data.
Regression is often used as it is a statistical
method used for numeric prediction. Primary
emphasis should be made on the selection
measurement accuracy and predicative efficiency
of any new drug discovery. Simple or multiple
regressions is the basic prediction model that
enables a decision maker to forecast each criterion
status based on predictor information. (Smith and
Gupta, 2002) show through case studies how
neural network technology is useful from different
areas of business. We limited our discussion on
algorithms and proof here.

Data Mining will tell that it is likely that

something unlikely (Berson and Smith, 2005) will
happen. If Data Mining tool finds that 100 percent
of the drugs of some particular large group have
included for the performance analysis, but among
them only 10 drugs have the characteristics of high
performance ratings, then the tool can warn that it
is very likely to be an idiosyncrasy of the data base
rather than a usual predictive pattern
The difference between Data Mining and
statistics is that Data Mining automates the
statistical process requiring in several tools.
Statistical inference is assumption driven in the
sense that a hypothesis is formed and tested
against data. Data Mining, in contrast is discovery
driven. That is, the hypothesis is automatically
extracted from the given data. The other reason is
Data Mining techniques tend to be more robust for
real-world messy data and also used less by expert
users (Berson et al., 1999).
Data Mining can answer analytical
questions such as: what are discovery of new
molecules and issues over it? What factors or
combinations are directly impacting the drugs?
What are the best and outstanding drugs? Which
drugs are likely to be retained? How to optimally
allocate resources to ensure effectiveness and
efficiency? etc. Since the major chunk of literary
information is in the form of unstructured text, an
intelligent text mining system could provide a
platform for extracting and managing specific
information at the entity level. For e.g. Information
pertaining to genes, proteins, diseases, organisms,
chemical substance etc can be analytically
extracted for patterns . It would also aid in
providing insights into inter-relationships such as
protein-protein, Gene-gene, Protein-Chemical,
Gene-Disease and Drug-Drug interactions. Text
mining can be applied to biomedical literature,
clinical documents and other medical literary

(C) CLUSTERING.
It is a method by which similar records
are grouped together. Clustering is usually used to
mean segmentation. An organization can take the
hierarchy of classes that group similar events.
Using clustering, employees can be grouped based
on income, age, occupation, housing etc. In

business, clustering helps identify groups of

similarities; characterize customer groups based on
purchasing patterns, etc.

63

sources for data curation and database population

in a semi-automated manner.

side effects (not necessarily reported in the

manufacturer's product literature) involving food
and any type or brand of antacid.

4. APPLICATIONS OF DATA MINING IN

THE PHARMACEUTICAL INDUSTRY

A user-interface may be designed to

accept all kinds of information from the user (e.g.,
Most healthcare institutions lack the
weight, sex, age, foods consumed, reactions
reported, dosage, length of usage). Then, based
appropriate information systems to produce
reliable reports with respect to other information
upon the information in the databases and the
than purely
financial and volume related
relevant data entered by the user, a list of warnings
statements (Prins & Stegwee, 2000). The or known reactions (accompanied by probabilities)
management of pharma industry starts to recognize
should be reported. Note that user profiles can
the relevance of the definition of drugs and
contain large amounts of information, and efficient
products in relation to management information. In
and effective data mining tools need to be
the turmoil between costs, care-results and patient
developed to probe the databases for relevant
satisfaction the right balance is needed and can be
information. Secondly, the patient's (anonymous)
found
in upcoming information
and
profile should be recorded along with any adverse
Communication technology.
reactions reported by the patient, so that future
correlations can be reported. Over time, the
The delivery of healthcare has always
databases will become much larger, and interaction
been information intensive, and there are signs that
data for existing medicines will become more
the industry is recognizing the increasing
complete.
importance of information processing in the new
managed care environment (Morrisey, 1995). Most
The amount of existing pharmaceutical
automated systems are used as a tool for daily
information (pharmacological properties, dosages,
work: they are focused on production (daily
contraindications, warnings, etc.) is enormous;
registration). All the data, which are used to keep
however, this fact reflects the number of medicines
the organization running, operational data, are in
on the market, rather than an abundance of detailed
these automated systems. These systems are also
information about each product.
called legacy systems. There is a growing need to
do more with the data of an organization than to
One of the major problems with
use them for administration only. A lot of
pharmaceutical data is actually a lack of
information is hidden in the legacy systems. This
information. For example, an food and drug
information can easily be extracted. Most of the
administration department estimated that only
times this can not be done directly from the legacy
about 1% of serious events are reported to the food
systems, because these are not build to answer
and drug administration department. Fear of
questions that are unpredictable. Research shows
litigation may be a contributing factor; however,
that (Zuckerman and Alan, 2006); Armoni, 2002;
most health care providers simply don't have the
Rada, 2002) that successful decision systems
time to fill out reports of possible adverse drug
enriched with analytical solutions are necessary for
reactions. Furthermore, it is expensive and timehealthcare information systems.
consuming for pharmaceutical companies to
perform a thorough job of data collection,
Given the size of the databases being
especially when most of the information is not
queried, there is likely to be a trade-off in accuracy
required by law. Finally, one should note that the
of information and processing time. Sampling
food and drug administration department does not
techniques and tests of significance may be
require manufacturers to test new medicines for
satisfactory to identify some of the more common
potential interactions.
relationships; however, uncommon relationships
may require substantial search time. The
There are in general three stages of drug
thoroughness of the search depends on the
development namely finding of new drugs,
importance of the query (e.g., life threatening vs.
development tests and predicts drug behavior,
"curious to know"), the indexing structures used,
clinical trials test the drug in humans and
and the level of detail supplied in the query. Of
commercialization takes drug and sells it to likely
course, the real data mining challenge comes when
consumers (doctors and patients).
the user supplies only a minimal amount of
information. For example: find possible serious

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DEVELOPMENT OF NEW DRUGS.

We could find out the adverse reactions associated

with a specific drug and still go a step further to
show if any specific condition aggravates the
adverse reaction for eg age, sex, and obesity
(Novartis Business Intelligence report, 2004). This
could help the medical practitioner to describe the
side effects to the patients being prescribed these
drugs.

This research need to use data mining tools

and techniques. This can be achieved by clustering
the molecules into groups according to the
chemical properties of the molecules via cluster
analysis (Cooman, 2005). This way every time a
new molecule is discovered it can be grouped with
other chemically similar molecules. This would
help the researchers in finding out with therapeutic
group the new molecule would belong to. Mining
can help us to measure the chemical activity of the
molecule on specific disease say tuberculosis and
find out which part of the molecule is causing the
action. This way we can combine a vast number of
molecules forming a super molecule with only the
specific part of the molecule which is responsible
for the action and inhibiting the other parts. This
would greatly reduce the adverse effects associated
with drug actions.

Pharma companies think that drugs might

have some yielded benefits. The drug undergoes

testing in animals and human tissue to observe
effect and determines how much drug to consume
for desired effect or how dangerous is the drug.
The Data mining techniques can be here used is
classification and neural networks. The goal here
is to predict if treatment will aid patients. Because
if drug will not aid patients, what purpose does
drug serve. Predicting the drug behavior is
essential when we have data supporting use of
drug and also have training data that shows effects
of drug (positive or negative). The test should be
able to predict which patients will benefit and
which treatment help sickle cell anemia patients.
The information like gender, body weight, disease
state, etc will play crucial role. This crucial data
should be fed into neural network and predict
whether patient will benefit from drug. Only one
of two classifications yes/no will be available on
training data. Network is trained for the
yes
classifications and a snapshot is taken of the neural
network. Then network is trained for the
no
classifications and another snapshot is taken. The
output is yes or no, depending on whether the
inputs are more similar to the yes or the no training
data.

Scientists run experiments to determine

activity of potential drugs. They use high speed
screening to test tens, hundreds, or thousands of

drugs very quickly. The general goal is to find

activity on relevant genes or to find drug
compounds that have desirable characteristics
(whatever those may be). The Data mining
techniques that are used in developing of new
drugs are clustering, classification and neural
networks. The basic objective is to determine
compounds with similar activity. The reason is for
similar activity compounds behave similarly. This
is possible only when we have known compound
and looking for something better. When we dont
have known compounds but have desired activity
and want to find compound that exhibits this
activity, then data mining rescues this.

CLINICAL TRIALS TEST THE DRUG IN

HUMANS

DEVELOPMENT TESTS AND PREDICTS

DRUG BEHAVIOR

Company tests drugs in actual patients on

larger scale. The company has to keep track of
data about patient progress. The Government
wants to protect health of citizens, many rules
govern clinical trials. In developed countries food
and drug administration oversees trials. The Data
mining techniques used here can be neural
networks. Here data is collected by pharmaceutical
company but undergoes statistical analysis to
determine success of trial. Data is generally
reported to food and drug administration
department and inspected closely. Too many
negative reactions might indicate drug is too
dangerous. An adverse event might be medicine
causing drowsiness. As a matter of fact, Data
mining is
performed by
food and
drug

There many issues which affect the success of

a drug which has been marketed which can impact
the future development of the drug. Firstly adverse
reactions to the drugs are reported spontaneously
and not in any organized manner. Secondly we can
only compare the adverse reactions with the drugs
of our own company and not with other drugs
from competing firms. And thirdly we only have
information on the patient taking the drug not the
adverse reaction that the patient is suffering from.
All this can be solved with creation of a data
warehouse for drug reactions and running business
intelligence tools on them a basic classification
tool can solve much of the problems faced here.

65

administration, not as much by pharmaceutical

Data Mining in improving the quality of decision

making process in pharma industry.

companies. The goal is to detect when too many

adverse events occur or detect link between drug

and adverse event. Too many adverse events
linked to a drug might indicate drug is too
dangerous or health of patient is at risk. Adverse
events are reported to food and drug
administration when link is suspected. One can
feed the information on drug causing too many
adverse events pertaining to drugs into a neural
network and let network lead us to what is meant
by too many.

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5. OUTCOME RESEARCH

The effectiveness of the drug is often

measured by how soon the drug deals with the
medical condition (Joe and Teresa, 1996). A
simple association technique could help us
measure the outcomes that would greatly enhance
the patients quality of life say for e.g. faster
restoration of the bodys normal functioning. This
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