Computational modelling of drug disposition lalitajoshi9
computational modelling of drug disposition is the integral part of computer aided drug design. different kinds of tools being used in the prediction of drug disposition in human body. This topic in the CADD explains the details about the drug disposition, active transporters and tools.
Computational modelling of drug disposition lalitajoshi9
computational modelling of drug disposition is the integral part of computer aided drug design. different kinds of tools being used in the prediction of drug disposition in human body. This topic in the CADD explains the details about the drug disposition, active transporters and tools.
Statistical modeling in pharmaceutical research and developmentPV. Viji
Statistical modeling in pharmaceutical research and development , Statistical Modeling , Descriptive Versus Mechanistic Modeling , Statistical Parameters Estimation , Confidence Regions , Non Linearity at the Optimum , Sensitivity Analysis , Optimal Design , Population Modeling
REGULATORY AND INDUSTRY VIEWS ON QbD, SCIENTIFICALLY BASED QbD- EXAMPLES OF A...Ardra Krishna
The pharmaceutical Quantity by Design (QbD) is a systemic approach to development that begins with predefined objectives and emphasizes product and process understanding and process control, based on sound science and quantity risk management.
QbD has been adopted by U.S Food and Drug Administration (FDA) for the discovery, development and manufacture of drugs.
Quality- by- design (QbD) is a concept introduces by the International Conference on Harmonization (ICH) Q8 guidelines.
Computational modeling of drug dispositionPV. Viji
Computational modeling of drug disposition , Modeling techniques , Drug absorption , solubility , intestinal permeation , Drug distribution , Drug excretion , Active Transport , P-gp , BCRP , Nucleoside transporters , hPEPT1 , ASBT , OCT , OATP , BBB-choline transporter
Nucleic acid based therapeutic drug delivery systemtadisriteja9
Nucleic acid based Drug delivery system is one of the trending research area, which i have taken and made as Powerpoint for easy and quick learning purpose
COMPUTATIONAL MODELING OF DRUG DISPOSITION.pptxPoojaArya34
Computational modelling of drug disposition is the integral part of computer aided drug design. different kinds of tools being used in the prediction of drug disposition in human body. This topic in the CADD explains the details about the drug disposition, active transporters and tools.
Historically, drug discovery has focused almost exclusively on efficacy and selectivity against the biological target.
As a result, nearly half of drug candidates fail at phase II and phase III clinical trials because of undesirable drug pharmacokinetics properties, including absorption, distribution, metabolism, excretion, and toxicity (ADMET).
The pressure to control the escalating cost of new drug development has changed the paradigm since the mid-1990s. To reduce the attrition rate at more expensive later stages, in vitroevaluation of ADMET properties in the early phase of drug discovery has been widely adopted.Many high-throughput in vitro ADMET property screening assays have been developed and applied successfully .
For example, Caco-2 and MDCK cell monolayers are widely used to simulate membrane permeability as an in vitro estimation of in vivo absorption.
These in vitro results have enabled the training of in silico models, which could be applied to predict the ADMET properties of compounds even before they are synthesized.
Statistical modeling in pharmaceutical research and developmentPV. Viji
Statistical modeling in pharmaceutical research and development , Statistical Modeling , Descriptive Versus Mechanistic Modeling , Statistical Parameters Estimation , Confidence Regions , Non Linearity at the Optimum , Sensitivity Analysis , Optimal Design , Population Modeling
REGULATORY AND INDUSTRY VIEWS ON QbD, SCIENTIFICALLY BASED QbD- EXAMPLES OF A...Ardra Krishna
The pharmaceutical Quantity by Design (QbD) is a systemic approach to development that begins with predefined objectives and emphasizes product and process understanding and process control, based on sound science and quantity risk management.
QbD has been adopted by U.S Food and Drug Administration (FDA) for the discovery, development and manufacture of drugs.
Quality- by- design (QbD) is a concept introduces by the International Conference on Harmonization (ICH) Q8 guidelines.
Computational modeling of drug dispositionPV. Viji
Computational modeling of drug disposition , Modeling techniques , Drug absorption , solubility , intestinal permeation , Drug distribution , Drug excretion , Active Transport , P-gp , BCRP , Nucleoside transporters , hPEPT1 , ASBT , OCT , OATP , BBB-choline transporter
Nucleic acid based therapeutic drug delivery systemtadisriteja9
Nucleic acid based Drug delivery system is one of the trending research area, which i have taken and made as Powerpoint for easy and quick learning purpose
COMPUTATIONAL MODELING OF DRUG DISPOSITION.pptxPoojaArya34
Computational modelling of drug disposition is the integral part of computer aided drug design. different kinds of tools being used in the prediction of drug disposition in human body. This topic in the CADD explains the details about the drug disposition, active transporters and tools.
Historically, drug discovery has focused almost exclusively on efficacy and selectivity against the biological target.
As a result, nearly half of drug candidates fail at phase II and phase III clinical trials because of undesirable drug pharmacokinetics properties, including absorption, distribution, metabolism, excretion, and toxicity (ADMET).
The pressure to control the escalating cost of new drug development has changed the paradigm since the mid-1990s. To reduce the attrition rate at more expensive later stages, in vitroevaluation of ADMET properties in the early phase of drug discovery has been widely adopted.Many high-throughput in vitro ADMET property screening assays have been developed and applied successfully .
For example, Caco-2 and MDCK cell monolayers are widely used to simulate membrane permeability as an in vitro estimation of in vivo absorption.
These in vitro results have enabled the training of in silico models, which could be applied to predict the ADMET properties of compounds even before they are synthesized.
computational modeling of drug disposition Naveen Reddy
Computational Modelling of Drug disposition, modelling techniques, drug absorption, drug distribution, drug Excretion, quantitative approach, qualitative approach, in silico models, blood brain barrier, plasma protein binding, QSAR, QSPR, Volume of distribution
Myself Omkar Tipugade , M - Pharm sem II , department of Pharmaceutics , today will upload presentation on Computational modeling in drug disposition .
• In silico (literally alluding the mass use of silicon for semiconductor computer chips) is an expression used to performed on computer or via computer simulation
• In silico tools capable of identifying critical factors (i.e. drug physicochemical properties, dosage form factors) influencing drug in vivo performance, and predicting drug absorption based on the selected data set (s) of input factors.
PREDICTION AND ANALYSIS OF ADMET PROPERTIES OF NEW.pptxMO.SHAHANAWAZ
Detail about PREDICTION AND ANALYSIS OF ADMET PROPERTIES OF NEW MOLECULES AND IT’S IMPORTANCE IN DRUG DISCOVERY, including DESCRIPTORS OF ADMET PREDICTION, DATASETS USED IN ADMET PREDICTION
COMPUTATIONAL MODELING IN DRUG DISPOSITION.pptxMohammad Azhar
Computational modeling is the use of computers to simulate and study complex systems using mathematics, physics, and computer science. It is a powerful tool that can be used to understand and predict how systems behave, without having to conduct physical experiments.
One way to think about computational modeling is to imagine a virtual world that you can create and control. You can use this virtual world to test different scenarios and see how the system behaves under different conditions.
For example, you could create a computational model of a weather system to predict how a hurricane is going to develop or, you could create a computational model of a drug to predict how it will interact with the human body.
Data Collection - Collecting experimental data on drug properties and interactions.
Model Development - Building mathematical models that represent drug behavior in the body.
Model Validation - Ensuring that models accurately predict real-world outcomes.
Model Application - Using models for various purposes like drug design, dose optimization, and clinical trial simulations.
DRUG DISPOSITION COMPUTATIONAL MODELING.pptxManshiRana2
Drug development has traditionally focused entirely on efficacy and selectivity against the biological target.
As a result, roughly 50% of drug candidates fail in phase ii and phase iii clinical trials due to unfavorable pharmacokinetic features, such as absorption, distribution, metabolism, excretion, and toxicity (admet).
Since the mid-1990s, the pressure to control the rising cost of new medication development has shifted the paradigm.
Invitro evaluation of admet characteristics in the early phases of drug discovery has been widely adopted to avoid attrition at more expensive later stages.
In spite of extensive effort by industry and academia to develop new drugs, there are still several diseases that are in need of therapeutic agents and have yet to be developed.
10 years the identification rate of disease-associated targets has been higher than the therapeutics identification rate.
Nevertheless, it is apparent that computational tools provide high hopes that many of the diseases under investigation can be brought under control.
- Video recording of this lecture in English language: https://youtu.be/lK81BzxMqdo
- Video recording of this lecture in Arabic language: https://youtu.be/Ve4P0COk9OI
- Link to download the book free: https://nephrotube.blogspot.com/p/nephrotube-nephrology-books.html
- Link to NephroTube website: www.NephroTube.com
- Link to NephroTube social media accounts: https://nephrotube.blogspot.com/p/join-nephrotube-on-social-media.html
CDSCO and Phamacovigilance {Regulatory body in India}NEHA GUPTA
The Central Drugs Standard Control Organization (CDSCO) is India's national regulatory body for pharmaceuticals and medical devices. Operating under the Directorate General of Health Services, Ministry of Health & Family Welfare, Government of India, the CDSCO is responsible for approving new drugs, conducting clinical trials, setting standards for drugs, controlling the quality of imported drugs, and coordinating the activities of State Drug Control Organizations by providing expert advice.
Pharmacovigilance, on the other hand, is the science and activities related to the detection, assessment, understanding, and prevention of adverse effects or any other drug-related problems. The primary aim of pharmacovigilance is to ensure the safety and efficacy of medicines, thereby protecting public health.
In India, pharmacovigilance activities are monitored by the Pharmacovigilance Programme of India (PvPI), which works closely with CDSCO to collect, analyze, and act upon data regarding adverse drug reactions (ADRs). Together, they play a critical role in ensuring that the benefits of drugs outweigh their risks, maintaining high standards of patient safety, and promoting the rational use of medicines.
Recomendações da OMS sobre cuidados maternos e neonatais para uma experiência pós-natal positiva.
Em consonância com os ODS – Objetivos do Desenvolvimento Sustentável e a Estratégia Global para a Saúde das Mulheres, Crianças e Adolescentes, e aplicando uma abordagem baseada nos direitos humanos, os esforços de cuidados pós-natais devem expandir-se para além da cobertura e da simples sobrevivência, de modo a incluir cuidados de qualidade.
Estas diretrizes visam melhorar a qualidade dos cuidados pós-natais essenciais e de rotina prestados às mulheres e aos recém-nascidos, com o objetivo final de melhorar a saúde e o bem-estar materno e neonatal.
Uma “experiência pós-natal positiva” é um resultado importante para todas as mulheres que dão à luz e para os seus recém-nascidos, estabelecendo as bases para a melhoria da saúde e do bem-estar a curto e longo prazo. Uma experiência pós-natal positiva é definida como aquela em que as mulheres, pessoas que gestam, os recém-nascidos, os casais, os pais, os cuidadores e as famílias recebem informação consistente, garantia e apoio de profissionais de saúde motivados; e onde um sistema de saúde flexível e com recursos reconheça as necessidades das mulheres e dos bebês e respeite o seu contexto cultural.
Estas diretrizes consolidadas apresentam algumas recomendações novas e já bem fundamentadas sobre cuidados pós-natais de rotina para mulheres e neonatos que recebem cuidados no pós-parto em unidades de saúde ou na comunidade, independentemente dos recursos disponíveis.
É fornecido um conjunto abrangente de recomendações para cuidados durante o período puerperal, com ênfase nos cuidados essenciais que todas as mulheres e recém-nascidos devem receber, e com a devida atenção à qualidade dos cuidados; isto é, a entrega e a experiência do cuidado recebido. Estas diretrizes atualizam e ampliam as recomendações da OMS de 2014 sobre cuidados pós-natais da mãe e do recém-nascido e complementam as atuais diretrizes da OMS sobre a gestão de complicações pós-natais.
O estabelecimento da amamentação e o manejo das principais intercorrências é contemplada.
Recomendamos muito.
Vamos discutir essas recomendações no nosso curso de pós-graduação em Aleitamento no Instituto Ciclos.
Esta publicação só está disponível em inglês até o momento.
Prof. Marcus Renato de Carvalho
www.agostodourado.com
These simplified slides by Dr. Sidra Arshad present an overview of the non-respiratory functions of the respiratory tract.
Learning objectives:
1. Enlist the non-respiratory functions of the respiratory tract
2. Briefly explain how these functions are carried out
3. Discuss the significance of dead space
4. Differentiate between minute ventilation and alveolar ventilation
5. Describe the cough and sneeze reflexes
Study Resources:
1. Chapter 39, Guyton and Hall Textbook of Medical Physiology, 14th edition
2. Chapter 34, Ganong’s Review of Medical Physiology, 26th edition
3. Chapter 17, Human Physiology by Lauralee Sherwood, 9th edition
4. Non-respiratory functions of the lungs https://academic.oup.com/bjaed/article/13/3/98/278874
Muktapishti is a traditional Ayurvedic preparation made from Shoditha Mukta (Purified Pearl), is believed to help regulate thyroid function and reduce symptoms of hyperthyroidism due to its cooling and balancing properties. Clinical evidence on its efficacy remains limited, necessitating further research to validate its therapeutic benefits.
Ozempic: Preoperative Management of Patients on GLP-1 Receptor Agonists Saeid Safari
Preoperative Management of Patients on GLP-1 Receptor Agonists like Ozempic and Semiglutide
ASA GUIDELINE
NYSORA Guideline
2 Case Reports of Gastric Ultrasound
Flu Vaccine Alert in Bangalore Karnatakaaddon Scans
As flu season approaches, health officials in Bangalore, Karnataka, are urging residents to get their flu vaccinations. The seasonal flu, while common, can lead to severe health complications, particularly for vulnerable populations such as young children, the elderly, and those with underlying health conditions.
Dr. Vidisha Kumari, a leading epidemiologist in Bangalore, emphasizes the importance of getting vaccinated. "The flu vaccine is our best defense against the influenza virus. It not only protects individuals but also helps prevent the spread of the virus in our communities," he says.
This year, the flu season is expected to coincide with a potential increase in other respiratory illnesses. The Karnataka Health Department has launched an awareness campaign highlighting the significance of flu vaccinations. They have set up multiple vaccination centers across Bangalore, making it convenient for residents to receive their shots.
To encourage widespread vaccination, the government is also collaborating with local schools, workplaces, and community centers to facilitate vaccination drives. Special attention is being given to ensuring that the vaccine is accessible to all, including marginalized communities who may have limited access to healthcare.
Residents are reminded that the flu vaccine is safe and effective. Common side effects are mild and may include soreness at the injection site, mild fever, or muscle aches. These side effects are generally short-lived and far less severe than the flu itself.
Healthcare providers are also stressing the importance of continuing COVID-19 precautions. Wearing masks, practicing good hand hygiene, and maintaining social distancing are still crucial, especially in crowded places.
Protect yourself and your loved ones by getting vaccinated. Together, we can help keep Bangalore healthy and safe this flu season. For more information on vaccination centers and schedules, residents can visit the Karnataka Health Department’s official website or follow their social media pages.
Stay informed, stay safe, and get your flu shot today!
These lecture slides, by Dr Sidra Arshad, offer a quick overview of the physiological basis of a normal electrocardiogram.
Learning objectives:
1. Define an electrocardiogram (ECG) and electrocardiography
2. Describe how dipoles generated by the heart produce the waveforms of the ECG
3. Describe the components of a normal electrocardiogram of a typical bipolar lead (limb II)
4. Differentiate between intervals and segments
5. Enlist some common indications for obtaining an ECG
6. Describe the flow of current around the heart during the cardiac cycle
7. Discuss the placement and polarity of the leads of electrocardiograph
8. Describe the normal electrocardiograms recorded from the limb leads and explain the physiological basis of the different records that are obtained
9. Define mean electrical vector (axis) of the heart and give the normal range
10. Define the mean QRS vector
11. Describe the axes of leads (hexagonal reference system)
12. Comprehend the vectorial analysis of the normal ECG
13. Determine the mean electrical axis of the ventricular QRS and appreciate the mean axis deviation
14. Explain the concepts of current of injury, J point, and their significance
Study Resources:
1. Chapter 11, Guyton and Hall Textbook of Medical Physiology, 14th edition
2. Chapter 9, Human Physiology - From Cells to Systems, Lauralee Sherwood, 9th edition
3. Chapter 29, Ganong’s Review of Medical Physiology, 26th edition
4. Electrocardiogram, StatPearls - https://www.ncbi.nlm.nih.gov/books/NBK549803/
5. ECG in Medical Practice by ABM Abdullah, 4th edition
6. Chapter 3, Cardiology Explained, https://www.ncbi.nlm.nih.gov/books/NBK2214/
7. ECG Basics, http://www.nataliescasebook.com/tag/e-c-g-basics
Knee anatomy and clinical tests 2024.pdfvimalpl1234
This includes all relevant anatomy and clinical tests compiled from standard textbooks, Campbell,netter etc..It is comprehensive and best suited for orthopaedicians and orthopaedic residents.
2. Introduction
Efficacy and selectivity against biological targets are two important
aspects of drug discovery
Many drug candidates in spite of having significant efficacy, fail in clinical
trial due to unfavorable pharmacokinetic properties (ADMET).
To reduce the cost of drug discovery, in vitro evaluation of ADMET
properties in the early phase of drug discovery has been widely adopted.
For example, Caco-2 and MDCK cell monolayers are widely used to
simulate membrane permeability as an in vitro estimation of in vivo
absorption.
Success in the in vitro studies are the motivation behind development of in
silico models, which could be applied to study the ADMET of a compound
even before it is synthesized.
3. Modeling Techniques
There are mainly two types of modeling approaches.
1st-The quantitative approaches represented by pharmacophore
modeling .
2nd -Flexible docking studies investigate the structural
requirements for the interaction between drugs and the targets.
•These are useful when there is an accumulation of knowledge
against a certain target.
•For ex: transporter involved in the transportation of a drug
would help in pharmacophore study to interpret minimum
structural requirements for transport.
4. Modeling techniques…
The availability of a protein’s three dimensional structure,
from either X-ray crystallization or homology modeling,
would assist flexible docking of the active ligand to derive
important interactions between the protein and the ligand.
The three widely used pharmacophore perception tools -
DISCO (DIStance Comparisons)
GASP (Genetic Algorithm Similarity Program)
Catalyst/HIPHOP
All three programs attempt to determine common features
based on the superposition of active compounds with
different algorithms.
5. Modeling techniques…
The qualitative approaches represented by (QSAR) and
(QSPR) studies utilize multivariate analysis to correlate
molecular descriptors with ADMET-related properties.
A diverse range of molecular descriptors can be
calculated based on the drug structure, ex-molecular
weight, interaction energies, etc.
When calculating correlations, it is important to select the
molecular descriptors that represent the type of
interactions contributing to the targeted biological
property.
6. Modeling techniques…
A wide range statistical algorithms are available to researchers for
correlating field descriptors with ADMET properties including
Simple multiple linear regression (MLR),
Multivariate partial least-squares (PLS)
Nonlinear regression-type algorithms such as artificial
neural networks (ANN) and support vector machine
(SVM).
Just like descriptor selection, it is essential to select the right
mathematical tool for most effective ADMET modeling.
Sometimes it is necessary to apply multiple statistical methods
and compare the results to identify the best approach.
8. DRUG ABSORPTION
Drug absorption and resultant bioavailability is the result of the
interplay between drug solubility and intestinal permeability.
Solubility
A drug generally must dissolve before it can be absorbed from the
intestinal lumen.
Direct measurement of solubility is time-consuming and requires a large
amount of (expensive) compound at the milligram scale.
By measuring a drug’s logP value (log of the partition coefficient of the
compound between water and n-octanol) and its melting point, one
could indirectly estimate solubility.
9. Solubility….
Even though the process is simplified, it still requires the
synthesis of the compound. To predict the solubility of the
compound even before synthesizing it, in silico modeling
can be implemented.
There are mainly two approaches to modeling solubility-
One is based on the underlying physiological
processes,
and the other is an empirical approach.
10. Solubility….
The dissolution process involves the breaking up of the solute from
its crystal lattice and the association of the solute with solvent
molecules.
Obviously, weaker interactions within the crystal lattice (lower
melting point) and stronger interactions between solute and solvent
molecules will result in better solubility and vice versa.
For drug like molecules, solvent-solute interaction has been the
major determinant of solubility and its prediction attracts most
efforts.
LogP is the simplest estimation of solvent-solute interaction and can
be readily predicted with commercial programs such as CLogP
(Daylight Chemical Information Systems, Aliso Viejo, CA).
11. Solubility….
Empirical approaches, represented by QSPR, utilize
multivariate analyses to identify correlations between
molecular descriptors and solubility.
The target property for most models is the logarithm
of solubility (logS), and many models are trained and
verified with the AQUASOL and PhysProp databases.
12. Intestinal Permeation
Intestinal permeation describes the ability of drugs to cross the
intestinal mucosa.
The process involves both passive diffusion and active
transport.
It is a complex process that is difficult to predict solely based
on molecular mechanism.
As a result, most current models aim to simulate in vitro
membrane permeation of cell lines like Caco-2, MDCK or
PAMPA, which have been a useful indicator of in vivo drug
absorption.
13. Factors affecting solubility and permeability
The ionization state will affect both solubility and permeability, and
hence absorption.
Given the environmental pH, the charge of a molecule can be
determined using the compound’s ionization constant value (pKa).
Several commercially and publicly available programs provide pKa
estimation based on the input structure, including
SCSpKa (ChemSilico, Tewksbury, MA),
Pallas/pKalc (CompuDrug, Sedona, AZ),
ACD/pKa (ACD, Toronto, ON, Canada),
SPARC online calculator.
14. Factors affecting solubility and permeability…
Both influx and efflux transporters are located in intestinal epithelial
cells and can either increase or decrease oral absorption.
Influx transporters such as human peptide transporter 1 (hPEPT1),
apical sodium bile acid transporter (ASBT), and nucleoside transporters
actively transport drugs that mimic their native substrates across the
epithelial cell.
Whereas efflux transporters such as P-glycoprotein (P-gp), multidrug
resistance-associated protein (MRP), and breast cancer resistance
protein (BCRP) actively pump absorbed drugs back into the intestinal
lumen.
Drug metabolism in intestinal epithelial cells by cytochrome P450
enzymes should also be considered.
15. Commercial packages such as GastroPlus and iDEA are
available to predict oral absorption and other
pharmacokinetic properties.
They are both based on the advanced compartmental
absorption and transit (CAT) model.
CAT incorporates the effects of drug moving through
the gastrointestinal tract and its absorption into each
compartment at the same time.
16. Drug Distribution
The structural and physiochemical properties of a drug determine the
extent of its distribution, which is mainly reflected by three parameters:
volume of distribution (VD),
plasma-protein binding (PPB),
blood-brain barrier (BBB) permeability.
VD is a measure of relative partitioning of drug between plasma and
tissue, an important proportional constant that, when combined with
drug clearance, could be used to predict drug half-life.
17. Drug Distribution…
However, because of the scarcity of in vivo data and the complexity of
the underlying processes, computational models that are capable of
predicting VD based solely on computed descriptors are still under
development.
the effect of PPB is an important consideration when evaluating the
effective (unbound)drug plasma concentration.
A nonlinear regression analysis over 300 drugs with experimental human
PPB percent data revealed that-
# for neutral and basic drugs a sigmoidal correlation exist
between logD (distribution coefficient) and PPB,
# for acidic drugs the same sigmoidal correlation between logP and
PPB.
18. Drug Distribution
The BBB maintains the restricted extracellular environment in
the central nerve system (CNS).
The evaluation of drug penetration through the BBB is an
integral part of the drug discovery and development process.
For drugs that target the CNS, it is imperative they cross the BBB
to reach their targets.
Conversely, for drugs with peripheral targets, it is desirable to
restrict their passage through the BBB to avoid CNS side effects.
Models based on log blood/brain (logBB), which is a
measurement of the drug partitioning between blood and brain
tissue.
19. Drug excretion
The excretion or clearance of a drug is quantified by plasma
clearance, which is defined as plasma volume that has been
cleared completely free of drug per unit of time.
Hepatic and renal clearances are the two main components
of plasma clearance.
No model has been reported that is capable of predicting
plasma clearance solely from computed drug structures.
Current modeling efforts are mainly focused on estimating
in vivo clearance from in vitro data.
20. Drug excretion…
The hepatic and renal clearance process is also complicated
by the presence of active transporters.
the effect of active transport is incorporated by measuring
in vitro data from MDCK cells that express organic anion
transporting polypeptide (OATP) 4 and MRP2.
However, to predict clearance for a given structure,
knowledge of the structural requirements for these
transporters is required.
21. Conclusion
Data quality is the most limiting factor in ADMET
modeling.
The major recent advancement in ADMET modeling is in
elucidating the role and successful modeling of various
transporters.
Some commercial programs have already implemented the
capability of modeling active transport, such as the recent
versions of GastroPlus, PK-Sim and ADME/Tox WEB.
22. Conclusion…
Not all pharmaceutical companies or research
organization can afford the resources to generate their
own in-house modeling programs, so the
commercially available in silico modeling suites have
become an attractive option.
23. References
Computer Applications in Pharmaceutical Research
and Development, Sean Ekins, 2006, John Wiley and
Sons (Page no. 495-502).
https://hemonc.mhmedical.com/content.aspx?bookid
=1810§ionid=124489864 (4th April, 2020).
Computational modeling to predict the functions and
impact of drug transporters (Matsson and Bergstrom,
In silico pharmacology 2015; 3:8)