Florent Chevillard

Computational Chemist @ Bayer AG

ABOUT ME

I'm a Postdoctoral researcher @ Bayer AG and an expert in Computational Chemistry currently specializing in Deep Learning techniques and Narrow Artificial Intelligence to solve problems in chemistry. My PhD covered fragment-based ligand discovery, most notably fragment growing techniques. I created two chemoinformatic tools which support fragment-based endeavors: SCUBIDOO and PINGUI. Both are freely accessible online and allows one to explore new quadrants of the chemical space by focusing on virtual products that are likely to be synthesizable. My objective is to keep gaining experience in the in silico field in order to participate to the development of drug candidates.

WORK

Postdoctoral Researcher
Bayer AG, Leverkusen, Germany
I am currently specializing in Deep Learning techniques and Narrow Artificial Intelligence to solve a wide range of problems in chemistry

02/2018 - Current

Postdoctoral Researcher
Kolblab, Philipps University, Marburg, Germany
I focused on large application of SCUBIDOO in synergy with parallel synthesis and the design of targeted libraries with PINGUI to explore GPCRs ligand chemical space.

11/2016 - 01/2018

PhD Student
Kolblab, Philipps University, Marburg, Germany
My PhD focused on improved approaches to ligand growing through fragment docking and fragment-based library design. My work yielded two online tools that are freely accessible: PINGUI and SCUBIDOO

11/2011 - 11/2016

Study engineer
Molecules Thérapeutiques In silico (MTI), Paris Diderot University, France
Prediction of solubility and other ADMET properties, development of chemical libraries and virtual screening (structure-based and ligand-based).

10/2010 - 10/2011



EDUCATION

Pharmaceutical Chemistry
Kolblab, Philipps University, Marburg, Germany
PhD

11/2011 - 09/2016

Chemoinformatics
Louis Pasteur University, Strasbourg, France
Master degree

09/2008 - 09/2010

Chemistry
Paul Sabatier University, Toulouse, France
Licence degree

09/2004 - 09/2008



INTERNSHIP

CERMN
Caen Basse Normandie University, France
QSAR / QSPR: prediction of the toxicity of small compounds.

02/2010 - 09/2010

Sanofi-Aventis
Vitry-sur-Seine, France
Ligand-based approaches comparison for virtual screening.

06/2009 - 09/2009



TEACHING

Introduction to chemoinformatics
Philipps University, Department of Chemistry
Semester 5 Students Pharmacy

2012 - 2015

Introduction to pyMol
Philipps University, Department of Pharmaceutical Chemistry
Semester 3 Students Chemistry

2012 - 2015


PROGRAMMING

HTML / CSS
90% Complete
Python
95% Complete
PHP
90% Complete
Javascript
65% Complete
MySQL
90% Complete
R statistics
85% Complete



FRAMEWORKS

Flask / Django
85% Complete
Keras / TensorFlow or Theano
85% Complete



SOFTWARES

Pipeline Pilot
99% Complete
Git
99% Complete



OS

Linux
99% Complete
Windows
99% Complete



LANGUAGES

English
99% Complete
German
80% Complete

ARTICLES

[7] - Interrogating dense ligand chemical space with a forward-synthetic library.
Chevillard F., Stotani S., Karawajczyk A., Hristeva S., Pardon E., Steyaert J., Tzalis D., Kolb P.
Proc. Natl. Acad. Sci. U.S.A., 2019, in press PDF

05/2019

[6] - Virtual Compound Libraries in Computer-Assisted Drug Discovery.
van Hilten N., Chevillard F., Kolb P.
J. Chem. Inf. Model., 2019, 59, 644-651 PDF

01/2019

[5] - Nanobody-enabled reverse pharmacology on GPCRs.
Pardon E., Betti C., Laeremans T., Chevillard F., Guillemyn K., Kolb P., Ballet S., Steyaert J.
Angew. Chem. Int. Ed., 2018, 57, 5292-5295 PDF
Comments @ In the Pipeline

01/2018

[4] - Binding-site compatible fragment growing applied to the design of β2-adrenergic receptor ligands.
Chevillard F., Rimmer H., Betti C., Pardon E., Ballet S., van Hilten N., Steyaert J., Diederich W. E., Kolb P.
J. Med. Chem., 2018, 61 (9), 1118-1129 PDF
Comments @ Practical Fragments

01/2018

[3] - SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized Towards High Likelihood of Synthetic Tractability
Chevillard F., Kolb P.
J. Chem. Inf. Model., 2015, 55 (9), 1824-1835 PDF

08/2015

[2] - Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6
Martiny V. Y., Carbonell P., Chevillard F., Moroy G., Nicot A. B., Vayer P., Villoutreix B. O., Miteva M. A.
Bioinformatics, 2015. PDF

08/2015

[1] - In Silico Prediction of Aqueous Solubility: A Multimodel Protocol Based on Chemical Similarity
Chevillard F., Lagorce D., Reynès C., Villoutreix B. O., Vayer P., Miteva M. A.
Molecular pharmaceutics, 2012, 9, 3127-3135. PDF

10/2012



TALKS

[3] - Highly designed combinatorial fragment growing coupled with parallel synthesis: Application to the discovery of novel ligands for the β2-adrenergic receptor
GLISTEN Spring Meeting, Porto, Portugal

03/2017

[2] - SCUBIDOO: a free online database exploring accessible chemical space
7th Chemoinformatic Days of the French Society of Chemoinformatics, Nice, France
Best oral presentation award

10/2015

[1] - SCUBIDOO: a free online database exploring new chemical space
Open Source Pharma, 2nd Annual Meeting, Rauischholzhausen, Germany

09/2015



WORKSHOPS

[1] - Ligand docking in structure-based drug design
GLISTEN, Work group meeting and Workshop, Warsaw, Poland

10/2013



POSTERS

[10] - Annual ELF Chemistry Learnings & Achievements Meeting, Beerse, Belgium

11/2017

[9] - GRC CADD, Mount Snow, VT, US

07/2017

[8] - GRC Molecular Pharmacology, Pisa, Italy

03/2017

[7] - GLISTEN Spring Meeting, Porto, Portugal

03/2017

[6] - GLISTEN Fall Meeting, Prague, Czech Republic

09/2016

[5] - Seventh Joint Sheffield Conference on Chemoinformatics, Sheffield, UK
PDF

07/2016

[4] - 11th German Conference on Chemoinformatics, Fulda, Germany

11/2015

[3] - 9th German Conference on Chemoinformatics, Fulda, Germany

10/2013

[2] - Summerschool of chemoinformatics, Obernai, France

06/2012

[1] - Summerschool of chemoinformatics, Obernai, France

06/2010


CONTACT

Email
florent.chevillard@bayer.com

Adress
Bayer AG
Kaiser-Wilhelm-Allee 101-103
51373 Leverkusen

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