1 | Property-Based Drug Design in Medicinal Chemistry Healthtech.com/Property-Based-Drug-Design

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Final Agenda

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June 11-12, 2015 | Westin Boston Waterfront, Boston, MA

Healthtech.com/Property-Based-Drug-Design

WORLD PRECLINICALCONGRESS

PREMIER SPONSORS

Driving Drug Discovery Success by Designing Right Physicochemical and Biophysical Properties

EVENT FEATURES: • 2015 discussion topics include: Design Consideration for New & Non-Traditional Molecules,

Designing Molecules with Better Deliverability, Evaluation of Drug Properties, Overcoming Challenges in Discovery, Development & Clinic

• 65+ Exhibitors in a Shared Exhibit Hall

• Network with 950+ Attendees during Networking Breaks and Poster Session in Exhibit Hall

Driving Drug Discovery Success by Designing Right Physicochemical and Biophysical Properties

June 11-12, 2015 Westin Boston Waterfront, Boston, MA

Fourth Annual

Fourth Annual

Featured Speakers

Nick Terrett, Ph.D.CSO, Ensemble Therapeutics Corp.

Peter Kenny, Ph.D., Visiting Scientist, NEQUIMED-IQSC, University of São

CORPORATE SUPPORT SPONSOR

CORPORATE SPONSORS

2 | Property-Based Drug Design in Medicinal Chemistry Healthtech.com/Property-Based-Drug-Design

Conference-at-a-Glance

Property-Based Drug Design in Medicinal ChemistryThe drug discovery landscape is rapidly changing and with it comes the need to generate leads with lower attrition rate. Property-based drug design approach is guiding researchers in designing candidates with the right balance of physicochemical properties - safety and absorption, distribution, metabolism, and excretion (ADME) profiles. 4th Annual Property-Based Drug Design in Medicinal Chemistry conference will bring together experts and leaders from industry and academia to share strategies and case studies for new and non-traditional molecules, how computational modeling and data management can be used effectively, and to discuss novel ways to measure or predict properties to make molecules more drug-like and overcome challenges in discovery, development, and the clinic.

PREMIER SPONSORS CORPORATE SPONSORS

CORPORATE SUPPORT SPONSOR

Plenary Keynote Panelists:

Clinical Development of Keytruda David Kaufman, M.D., Ph.D., Director/Senior Principal Scientist, Oncology/Immunotherapy Clinical Research, Merck

Discovery of Ivacaftor, an Orally Bioavailable CFTR PotentiatorPeter Grootenhuis, Ph.D., Senior Director, Chemistry, Vertex Pharmaceuticals

Harvoni Drug Development Challenges: The Role of Risk in Rapid DevelopmentPhillip Pang, M.D., Ph.D., Director, Clinical Research, Gilead Sciences

Plenary Keynote Panel Wednesday, June 10 | 5:00 pm

Our Plenary Keynote Panel this year features senior executives from pharma/biotech who have played an important role in bringing to market some of the most innovative drugs in recent years. They are here to share their stories on what transpired behind-the-scenes, how they could overcome the translational challenges, and what they see as key drivers in making similar breakthroughs going forward.

Tuesday, June 9

Wednesday,June 10

Thursday,June 11

Friday,June 12

Dinner Short Courses*

Pre-Conference Short Courses*

Novel Preclinical Models in Oncology

Translational Imaging in Cancer Drug Development

Targeting GPCRs

Blood-Brain Barrier

Mastering Medicinal Chemistry

Chemical Biology for Target Validation

Novel Preclinical Models in Oncology

Translational Imaging in Cancer Drug Development

Targeting GPCRs

Blood-Brain Barrier

Mastering Medicinal Chemistry

Chemical Biology for Target Validation

Tumor Models for Cancer Immunotherapy

3D Cellular Models

Targeting Histone Acetylation

Property-Based Drug Design in Medicinal Chemistry

Chemical Proteomics for Target Validation

Tumor Models for Cancer Immunotherapy

3D Cellular Models

Targeting Histone Acetylation

Property-Based Drug Design in Medicinal Chemistry

Chemical Proteomics for Target Validation

New Models for Predicting Drug Toxicity

New Models for Predicting Drug Toxicity

Synergistic Use of Functional Genomics Technologies

Synergistic Use of Functional Genomics Technologies

Applying Pharmacology to New Drug Discovery Training Seminar*

Applying Pharmacology to New Drug Discovery Training Seminar*

Plenary Keynote Panel

* Separate registration required.

* Separate registration required.

3 | Property-Based Drug Design in Medicinal Chemistry Healthtech.com/Property-Based-Drug-Design

Suggested Event Package:June 9 Short Course*: Drug Metabolism and Its Impact on Decisions in Drug Discovery & DevelopmentJune 9 Dinner Short Course*: Understanding and Dealing with Drug Disposition in CNSJune 10-11: Mastering Medicinal Chemistry ConferenceJune 11-12: Property-Based Drug Design in Medicinal Chemistry ConferenceJune 11 Dinner Short Course*: Optimizing Physical Properties of Molecules to Achieve High-Quality Clinical Candidates* Separate registration required.

THURSDAY, JUNE 11

12:00 pm Registration

PROPERTY-BASED STRUCTURE DESIGN CONSIDERATION FOR NEW & NON-TRADITIONAL

MOLECULES

2:00 Chairperson’s Opening Remarks«

2:05 KEYNOTE PRESENTATION: EXPLORING MACROCYCLES FOR DRUG DISCOVERY: NOVEL LEAD SERIES FOR CHALLENGING PROTEIN-PROTEIN INTERACTIONSNick Terrett, Ph.D., CSO, Ensemble Therapeutics Corp.

Macrocycles are found widely in nature and several are marketed as drugs with good drug-like properties. This presentation will illustrate how Ensemble can rapidly generate millions of synthetic macrocycles using DNA-programmed chemistry, and how they are efficiently screened against protein-protein interaction targets to identify hit compounds and SAR. The novel approach will be illustrated with successful examples of lead discovery programs, including the discovery of novel XIAP and IL17A antagonists.

2:35 Property- and Fragment-Based Design Considerations for Protein-Protein Interaction Targets, a Case StudyChristopher N. Johnson, Ph.D., CChem FRSC, Director, Medicinal Chemistry, Astex PharmaceuticalsAstex has successfully applied fragment-based drug design to protein-protein interaction targets. Key factors in this success have been (i) detailed structural understanding of binding interactions between fragment and target protein via x-ray crystallography and (ii) rigorous control of physicochemical properties. The approach is exemplified by Astex’s Inhibitor of Apoptosis Protein (IAP) project, where potent dual antagonists of XIAP and cIAP1 were identified, having in vivo anti-tumor activity.

3:05 Computational Design for Improving ADME Properties of Peptidic MacrocyclesAlan M. Mathiowetz, Ph.D., Director, Worldwide Medicinal Chemistry, Pfizer, Inc.A great deal of progress has been made in recent years in elucidating design principles for achieving favorable ADME properties in Beyond Rule-of-5 macrocycles. Many of the important principles, such as minimization of exposed polar surface area to improve permeability, are dependent upon the overall 3D structure, which can be computationally predicted and confirmed experimentally. Here we present computational approaches and property/ADME trends seen in a variety of interesting macrocyclic chemotypes.

3:35 A Delicate Balancing Act: Applying Property Filtering to Fragment Replacement in BROOD

Sponsored By

Gregory L. Warren, Ph.D., Senior Applications Scientist, OpenEye Scientific Software, Inc.Lead optimization is not a simple one-dimensional optimization of affinity and effective computational tools should allow of optimization of other molecular properties. We will present BROOD v 2.1 a fragment-based R-group

and template replacement lead optimization application that can suggest replacement groups that are simultaneously optimized for many different properties at once. Several examples to demonstrate this unique ability will be presented.

4:05 Refreshment Break in the Exhibit Hall with Poster Viewing

DESIGNING MOLECULES WITH BETTER DELIVERABILITY AND TARGETING

4:45 Optimizing Brain Exposure in CNS Drug DiscoveryRuben Alvarez Sanchez, Ph.D., Head, Pharmaceutical Profiling, Drug Disposition and Safety, F. Hoffmann-La RocheFor drugs actively transported across the blood-brain barrier, unbound plasma and unbound brain concentrations differ to an extent that is commonly unknown. We report on approaches to assess and predict unbound brain concentration for P-gp substrates and how they can be utilized in early CNS drug discovery to enhance the understanding of PK/PD relationships and support a clinically meaningful compound optimization.v

5:15 Inhalation by Design: Approaches towards Designing Drug Candidates for Lung DiseasesPeter Jones, Ph.D., Senior Principal Scientist, Medicinal Chemistry-Inflammation and Remodelling, Pfizer, Inc.Designing compounds with suitable properties for inhalation present unique challenges to the medicinal chemist. This talk will discuss a number of programs from within Pfizer that have addressed this issue, across numerous target classes, to produce inhaled candidate drug molecules for the treatment of various lung diseases – Inhibition of GPCRs, PDEs and Kinases have been targeted successfully via this approach.

5:45 Discovery of Asunaprevir (BMS-650032): An Approved NS3 Protease Inhibitor for the Treatment of Hepatitis CPaul Scola, Ph.D., Research Fellow & Group Leader, Department of Virology Chemistry, Bristol-Myers Squibb Research Co.Hepatitis C Virus (HCV) infection is an insidious liver disease that affects more than 170 million people worldwide. The HCV NS3/4A protease is an essential enzyme for viral replication and, as such, has been validated as a target for anti-HCV therapy in clinical trials. In this presentation, the discovery of BMS-650032, a potent and selective inhibitor of the NS3/4A enzyme, recently approved for treatment of HCV, will be described. Highlights of this discovery process include the design of the acylsulfonamide chemotype, as well as optimization of ADME and toxicology properties within this chemical series.

6:15 Close of Day

DINNER COURSE* | 7:00 – 10:00 PMOptimizing Physical Properties of Molecules to Achieve High-Quality Clinical Candidates

Topics to be discussed:• Determination, Evaluation and use of physical properties in drug discover• Discussion of properties such as solubility, ligand efficiency, log P,

crystallizations, and solubility• Experimental best practices and case studies

Instructor:Terry Richard Stouch, Ph.D., President, Science for Solutions, LLCAdditional instructors to be Announced

FRIDAY, JUNE 12

7:30 am Interactive Breakout Discussion Groups Each discussion group in this session is led by a moderator/s who ensures focused conversations around key issues. Attendees join a specific group and the small, informal setting facilitates sharing of ideas and active networking. Topics for discussion will be made available on the conference website.

PREDICTION AND EVALUATION OF DRUG

Healthtech.com/Property-Based-Drug-Design Property-Based Drug Design in Medicinal Chemistry | 4

PROPERTIES

8:35 Chairperson’s RemarksTerry Richard Stouch, Ph.D., President, Science for Solutions, LLC

«

8:45 FEATURED PRESENTATION: PROPERTY-BASED MOLECULAR DESIGN: WHERE NEXT?Peter Kenny, Ph.D., Visiting Scientist, NEQUIMED-IQSC, University of SãoI will draw the distinction between hypothesis-driven and

prediction-driven molecular design before questioning some of the assumptions commonly made in drug discovery. Alternatives to the octanol/water partitioning system will be discussed and relationships between structures will be outlined as a framework for analyzing biological activity and physicochemical properties.

9:15 Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical CandidatesJan Kihlberg, Ph.D., Professor, Department of Chemistry, BMC, Uppsala University, SwedenAnalysis of drugs and clinical candidates having MW >500 Da demonstrate significant opportunities for discovery of cell permeable and orally bioavailable drugs in physicochemical space far beyond the rule of 5 (bRo5). As compared to Ro5 compliant drugs, those bRo5 may modulate different kinds of targets, in particular ones having flat and groove shaped binding sites. Interestingly, macrocycles appear to have features that provide special opportunities in bRo5 drug space.

9:45 Sponsored Presentation (Opportunity Available)

10:15 Coffee Break in the Exhibit Hall with Poster Viewing

11:00 Known Unknowns in Drug Discovery DataTerry Richard Stouch, Ph.D., President, Science for Solutions, LLCData drives Drug Discovery research at all levels and determine the outcome of many thousands of decisions that govern the progress, success, or failure of any one project. Yet, even the ‘experimental’ error of this data is often unknown, under-utilized, or unconfirmed and the actual error has been shown to be even larger that that. This includes physical property data as well as that from assays, biomolecular structure determination, and computational modeling. These errors, their magnitude and genesis will be discussed with a eye toward informed decision making.

11:25 Physicochemical and Biomimetic Properties to Guide Lead OptimizationKlara Valko, Ph.D., DSc, FRSC, Senior Scientific Investigator, UK Analytical Chemistry, RD Platform Technology & Science, GSKMeasurements of physicochemical and biomimetic properties in early drug discovery are used for the estimation of in vivo distribution and drug efficiency. The Drug Efficiency Index (DEI) (potency plus drug efficiency) has been shown to be proportional to receptor occupancy. Simultaneous optimization of potency and drug efficiency can help guide candidate selection toward compounds of increased quality and with reduced chance of later stage failures.

11:50 pm Hepatobiliary Drug Transport: Predicting and Optimizing PharmacokineticsManthena Varma, Ph.D., Senior Principal Scientist, Pharmacokinetics Dynamics & Metabolism, Pfizer, Inc.Hepatobiliary transport is a major disposition pathway, and estimating its contribution to the total systemic clearance is extremely valuable for predicting clinical pharmacokinetics and understanding the possible mechanisms of hepato-biliary toxicity and potential drug-drug interactions. Furthermore, the clinical importance of hepatic drug transporters has attracted potential design strategies to support liver targeting – a key approach to maximizing the potential therapeutic index of a compound. Early assessment of drug exposure (PK) is challenging in this space given the limited information regarding the specific transporter expression levels, lack of established IVIVE and lack of sizable datasets. This presentation provide insight into the hepato-biliary transport with relevance to exposure optimization and the

current understanding of the physicochemical and structural drivers in order to facilitate rational drug design.

12:15 pm Phosphatidylcholine Affinity Chromatography and Link to Compound Promiscuity, Non-Specific Binding and Phospholipidosis AssessmentJohn Reilly, Ph.D., Senior Research Investigator, Global Discovery Chemistry, Novartis Institute of Biomedical ResearchIn this work, a high throughput chromatographic phosphatidylcholine (PC) affinity assay has been demonstrated to offer an insight into the prediction of compound promiscuity, non-specific binding and phospholipidosis-inducing potential (PLIP) of pharmaceuticals. Results will include >1000 compound study comparing PC affinity to generic compound promiscuity “Target Hit Rate” assay and the benefit of this approach over cLogP. Results will also be presented on how his assay has been a useful tool to predict for non-specific binding for PET ligand tracers and PLIP.

12:30 Sponsored Presentation (Opportunity Available)

12:45 Luncheon Presentation (Sponsorship Opportunity Available) or Enjoy Lunch on Your Own

1:30 Session Break

DESIGNING PROPERTIES TO OVERCOME CHALLENGES IN DISCOVERY, DEVELOPMENT

& CLINIC

2:00 Chairperson’s RemarksJan Wahlstrom, Ph.D., Director, Pharmacokinetics & Drug Metabolism, Amgen, Inc.

2:05 A Systems Pharmacokinetics Approach to the Optimization of Drug Properties to Help Maximize Therapeutic Index: On the Quantitative Prediction of Unbound Tissue Distribution and Its Implication for Drug DesignAvijit Ghosh, Ph.D., Director, Mechanism Based Drug Disposition Pharmacodynamics and Metabolism, Janssen R&DIn this work, we leverage a mathematical model of the underlying physiochemical properties of tissues and physicochemical properties of molecules to support the development of hepatoselective glucokinase activators. A case study using this approach in the development of hepatoselective glucokinase activators via organic anion-transporting polypeptide–mediated hepatic uptake and impaired passive distribution to the pancreas is described.

2:35 Utilizing Physiologically Based Pharmacokinetic Modeling to Inform Formulation and Clinical DevelopmentJan Wahlstrom, Ph.D., Director, Pharmacokinetics & Drug Metabolism, Amgen, Inc.Physicochemical properties and early ADMET assays guide chemotype evaluation and rational scaffold alteration. This presentation will focus on the integration of these approaches with physiologically based pharmacokinetic modeling (PBPK) to enable the prediction of clinical outcomes and to optimize selection of formulation.

3:05 The Discovery and Development of an HIV-1 Attachment Inhibitor Clinical CandidateKap-Sun Yeung, Ph.D., Principal Scientist, Discovery Chemistry, Pharmaceutical R&D, Bristol-Myers Squibb Co.The inhibition of the attachment of the HIV-1 viral glycoprotein gp-120 to the host cell receptor CD4 during the first step of the viral entry represents a novel antiretroviral approach. This talk will discuss the modifications made by medicinal chemists based on clinical feedback from multiple compounds, discuss a successful prodrug approach, and describe formulation development leading to a clinical candidate that is currently progressing to Phase III studies.

3:35 Close of Conference

5 | Property-Based Drug Design in Medicinal Chemistry Healthtech.com/Property-Based-Drug-Design

For sponsorship and exhibit information, please contact:Joseph VaccaAssociate Director, Business Development781-972-5431 | jvacca@healthtech.com

Sponsorship, Exhibit & Lead Generation Opportunities

Hotel & Travel InformationConference Venue and Hotel:

Westin Boston Waterfront425 Summer St.Boston, MA 02210T: 617-532-4600

Discounted Room Rate: $299 s/dDiscount Cutoff Date: May 13, 2015

Go to the travel page of healthtech.com/Property-Based-Drug-Design for additional info

Healthtech.com/Property-Based-Drug-Design Property-Based Drug Design in Medicinal Chemistry | 5

CHI offers comprehensive sponsorship packages which include presentation opportunities, exhibit space, branding and networking with specific prospects. Sponsorship allows you to achieve your objectives before, during, and long after the event. Any sponsorship can be customized to meet your company’s needs and budget. Signing on early will allow you to maximize exposure to qualified decision makers.

Podium Presentations – Available Within Main Agenda!Showcase your solutions to a guaranteed, targeted audience through a 15- or 30-minute presentation during a specific conference program, breakfast, lunch, or separate from the main agenda within a pre-conference workshop. Package includes exhibit space, on-site branding, and access to cooperative marketing efforts by CHI. For the luncheon option, lunches are delivered to attendees who are already seated in the main session room. Presentations will sell out quickly! Sign on early to secure your talk.

Invitation-Only VIP Dinner/Hospitality SuiteSponsors will select their top prospects from the conference pre-registration list for an evening of networking at the hotel or at a choice local venue. CHI will extend invitations and deliver prospects, helping you to make the most out of this invaluable opportunity. Evening will be customized according to sponsor’s objectives (i.e. purely social, focus group, reception style, plated dinner with specific conversation focus).

ExhibitExhibitors will enjoy facilitated networking opportunities with qualified delegates. Speak face-to-face with prospective clients and showcase your latest product, service, or solution.

Additional branding and promotional opportunities are available!

Looking for additional ways to drive leads to your sales team?CHI’s Lead Generation Programs will help you obtain more targeted, quality leads throughout the year. We will mine our database of 800,000+ life science professionals to your specific needs. We guarantee a minimum of 100 leads per program! Opportunities include Whitepapers, Web Symposia, Custom Market Research Surveys, and Podcasts.

World Preclinical Congress Student FellowshipFull time graduate students and PhD Candidates are encouraged to apply for the World Preclinical Congress Student Fellowship. Applications are due by March 27, 2015.

PRESENT A POSTER AND SAVE $50!Cambridge Healthtech Institute encourages attendees to gain further exposure by presenting their work in the poster sessions. To secure a poster board and inclusion in the conference materials, your abstract must be submitted, approved and your registration paid in full by April 24, 2015.

2015 Exhibitors & Sponsors (As of January 28, 2015)AMRIAntiCancer, Inc.AxiogenesisBiomodels, LLCBiopta LtdBruker CorporationCellular Dynamics InternationalChampions OncologyCharles RiverChemical Computing GroupCollaborative Drug Discovery (CDD)

Halocarbon ProductsHybrigenicsIntelligent PharmaInternational Institute for theAdvancement of MedicineInvivoSciences, Inc.The Jackson LaboratoryKIYATEC Inc.Molecular Sensing, Inc.OncodesignOptibriumPersomics USA, Inc.

PharmAgra Labs, Inc.ProQinaseReaction Biology CorporationSchrödingerSCIVAX Life Sciences, Inc.Simulations Plus, Inc.Solid Form Solutions LtdStudylog Systems, Inc.Sygnature DiscoverySynthonixTaconic BiosciencesVisualSonics

ADDITIONAL REGISTRATION DETAILSEach registration includes all conference sessions, posters and exhibits, food functions, and access to the conference proceedings link.Handicapped Equal Access: In accordance with the ADA, Cambridge Healthtech Institute is pleased to arrange special accommodations for attendees with special needs. All requests for such assistance must be submitted in writing to CHI at least 30 days prior to the start of the meeting.To view our Substitutions/Cancellations Policy, go tohttp://www.healthtech.com/regdetailsVideo and or audio recording of any kind is prohibited onsite at all CHI events.

A series of diverse reports designed to keep life science professionals informed of the salient trends in pharmaceutical technology, business, clinical development, and therapeutic disease markets.For a detailed list of reports, visit InsightPharmaReports.com, or contact Rose LaRaia, rlaraia@healthtech.com, +1-781-972-5444.

Barnett is a recognized leader in clinical education, training, and reference guides for life science professionals involved in the drug development process. For more information, visit barnettinternational.com.

How to Register: Healthtech.com/Property-Based-Drug-Designreg@healthtech.com • P: 781.972.5400 or Toll-free in the U.S. 888.999.6288

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CONFERENCE PRICING

Includes access to 1 conference, excludes short courses Academic, Government, Commercial Hospital-affiliated

After May 8, 2015 and on-site $1,949 $899

BEST VALUE! EVENT PRICINGIncludes access to 2 conferences, excludes short courses

After May 8, 2015 and on-site $2,999 $1,379 Program Selection: When registering please indicate the one conference you will attend:

June 10-11, 2015 June 11-12, 2015Tumor Models for Targeted Therapy

Property Based Drug Design -Recommended Package!

Imaging in OncologyMastering Medicinal Chemistry - Recommended PackageTargeting GPCRs

Chemical Biology

Predicting Drug Toxicity

Blood Brain Barrier

SHORT COURSE

Single Short Course $699 $399Two Short Courses $999 $699Three Short Courses $1,199 $899

Please select the short courses you are most likely to attend.

June 9, 2015 | 2:00 – 5:00 pm Tuesday, June 9, 2015 | 6:00 – 9:00 pm (Dinner provided.)

June 11, 2015 | 7:00 – 10:00 pm (Dinner provided.)

Drug Metabolism and Its Impact on Decisions in Drug Discovery & Development

Understanding and Dealing with Drug Disposition in CNS

Optimizing Physical Properties of Molecules to Achieve High-Quality Clinical Candidates

CONFERENCE DISCOUNTS

Alumni Discount 20% OffDrug Safety Executive Council (DSEC) Members 25% OffPoster Discount $50 Off

POSTER DISCOUNT ($50 Off) Poster abstracts are due by April 24, 2015 Once your registration has been fully processed, we will send an email containing a unique link allowing you to submit your poster abstract. If you do not receive your link within 5 business days, please contact jring@healthtech.com.

* CHI reserves the right to publish your poster title and abstract in various marketing materials and products.REGISTER 3 - 4th IS FREE: Individuals must register for the same conference or conference combination and submit completed registration form together for discount to apply.ALUMNI DISCOUNT: Cambridge Healthtech Institute (CHI) appreciates your past participation at Property-Based Drug Design and/or World Pharma Congress. As a result of the great loyalty you have shown us, we are pleased to extend to you the exclusive opportunity to save an additional 20% off the registration rate. Please note: Our records must indicate you were an attendee of Property-Based Drug Design and/World Pharma Congress in the past in order to qualify.Group Discounts are Available! Special rates are available for multiple attendees from the same organization. For more information on group discounts contact David Cunningham at 781-972-5472

*Alumni, DSEC Membership, Twitter, LinkedIN, Facebook or any other promotional discounts cannot be combined. Discounts not applicable on Event Short Courses.

If you are unable to attend but would like to purchase the World Preclinical Congress 2015 CD for $750 (plus shipping), please visit WorldPharmaCongress.com. Massachusetts delivery will include sales tax.

Pricing and Registration Information

Property-Based Drug Design in Medicinal Chemistry is part of CHI’s World Preclinical Congress 2015Make the most out of your time in Boston - Add a second event for maximum savings

Fourth Annual

June 11-12, 2015 | Westin Boston Waterfront, Boston, MA