Matthew Segall
Appearances
- DateMarch 20, 2022The use of computational chemistry and cheminformatics, including the application of data science techniques, has become as pervasive in chemistry research as lab glassware and analytical instrumentation…
Presenter
Robert J. Gotwals Jr., MSEdComputational Science Educztor, North Carolina School of Science and MathSpeakers
- At first glance, reaction-based enumeration is a commodity in a medicinal chemist’s toolbox that bolts together reagents as prescribed by a defined structure diagram. It should be simple to design and engineer…
Presenter
Speaker
- Machine learning can struggle to make accurate predictions when it comes to sparsely populated drug discovery datasets. However, a novel deep learning network method called Alchemite™ is providing increased accuracy in results and allowing scientists to discover quality compounds…
- At first glance, reaction-based enumeration is a commodity in a medicinal chemist’s toolbox that bolts together reagents as prescribed by a defined structure diagram. It should be simple to design and engineer…
Speakers
- : [CINF] Division of Chemical Information
Speakers
Senior Discovery Services Scientist, RJB Computational Modeling LLCPurdue UniversityProfessor, Pacific Northwest National LabPurdue UniversityPurdue UniversityProfessor, Universidad Nacional Autonoma de MexicoPhD student in Chemical Sciences, UNAMSr. Research Investigator, International Flavors and Fragrances - At first glance, reaction-based enumeration is a commodity in a medicinal chemist’s toolbox that bolts together reagents as prescribed by a defined structure diagram. It should be simple to design and engineer…
Speakers
- : [CINF] Division of Chemical Information
Speakers
Senior Discovery Services Scientist, RJB Computational Modeling LLCPurdue UniversityProfessor, Pacific Northwest National LabPurdue UniversityPurdue UniversityProfessor, Universidad Nacional Autonoma de MexicoPhD student in Chemical Sciences, UNAMSr. Research Investigator, International Flavors and Fragrances - Machine learning can struggle to make accurate predictions when it comes to sparsely populated drug discovery datasets. However, a novel deep learning network method called Alchemite™ is providing increased accuracy in results and allowing scientists to discover quality compounds…
- : [COMP] Division of Computers in Chemistry
Speakers
Schrodinger, IncNational Taiwan UniversityProfessor, Indian Institute of TechnologyUniversity of PittsburghRohith Anand Varikoti, Ph.DPost Doctoral RA, PNNLAtomwiseMostafa H. Ahmed, Ph.D.Senior Scientist, AtomwiseCorteva AgriscienceMassachusetts Institute of Technology - At first glance, reaction-based enumeration is a commodity in a medicinal chemist’s toolbox that bolts together reagents as prescribed by a defined structure diagram. It should be simple to design and engineer…
Speakers
- : [CINF] Division of Chemical Information
Speakers
Senior Discovery Services Scientist, RJB Computational Modeling LLCPurdue UniversityProfessor, Pacific Northwest National LabPurdue UniversityPurdue UniversityProfessor, Universidad Nacional Autonoma de MexicoPhD student in Chemical Sciences, UNAMSr. Research Investigator, International Flavors and Fragrances - Machine learning can struggle to make accurate predictions when it comes to sparsely populated drug discovery datasets. However, a novel deep learning network method called Alchemite™ is providing increased accuracy in results and allowing scientists to discover quality compounds…
- : [COMP] Division of Computers in Chemistry
Speakers
Schrodinger, IncNational Taiwan UniversityProfessor, Indian Institute of TechnologyUniversity of PittsburghRohith Anand Varikoti, Ph.DPost Doctoral RA, PNNLAtomwiseMostafa H. Ahmed, Ph.D.Senior Scientist, AtomwiseCorteva AgriscienceMassachusetts Institute of Technology - DateMarch 27, 2023At first glance, reaction-based enumeration is a commodity in a medicinal chemist’s toolbox that bolts together reagents as prescribed by a defined structure diagram. It should be simple to design and engineer…
Presenter
Speaker
- DateMarch 26, 2023Machine learning can struggle to make accurate predictions when it comes to sparsely populated drug discovery datasets. However, a novel deep learning network method called Alchemite™ is providing increased accuracy in results and allowing scientists to discover quality compounds…
- DateAugust 20, 2024The emergence of resistance, growing population with decreasing farmland, and increased stringency from regulations pose significant challenges in the agricultural industry…
Presenter
FMC Corporation Research and Technology Center Newark - DateAugust 18, 2024The last decade has seen a remarkable rise in the number and scope of artificial intelligence and machine learning (especially deep learning) algorithms for small molecule discovery…
Presenter
Application Scientist, Optibrium
