\n\t\t\t\t\t\t\tSubscribe today\t\t\t\t\t\t<\/a>\n\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t<\/div>\n\t<\/div>\n\t<\/div>\n\t\n\n\nOutlook<\/h2>\n\n\n\n
We continue to work with Novartis to focus machine learning research on problems relevant to the real-world drug discovery process. The early results are substantially better than those of competing methods, including our earlier CGVAE model. With time, we hope MoLeR-generated compounds will reach the final stages of drug-discovery projects, eventually contributing to new useful drugs that benefit humanity. <\/p>\n","protected":false},"excerpt":{"rendered":"
Drug discovery has come a long way from its roots in serendipity. It is now an increasingly rational process, in which one important phase, called lead optimization, is the stepwise search for promising drug candidate compounds in the lab. In this phase, expert medicinal chemists work to improve \u201chit\u201d molecules\u2014compounds that demonstrate some promising properties, […]<\/p>\n","protected":false},"author":37583,"featured_media":839464,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"msr-url-field":"","msr-podcast-episode":"","msrModifiedDate":"","msrModifiedDateEnabled":false,"ep_exclude_from_search":false,"footnotes":""},"categories":[1],"tags":[],"research-area":[13556,13553],"msr-region":[],"msr-event-type":[],"msr-locale":[268875],"msr-post-option":[243984],"msr-impact-theme":[],"msr-promo-type":[244008],"msr-podcast-series":[],"class_list":["post-835453","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-research-blog","msr-research-area-artificial-intelligence","msr-research-area-medical-health-genomics","msr-locale-en_us","msr-post-option-blog-homepage-featured","msr-promo-type-blog-post"],"msr_event_details":{"start":"","end":"","location":""},"podcast_url":"","podcast_episode":"","msr_research_lab":[],"msr_impact_theme":[],"related-publications":[],"related-downloads":[],"related-videos":[],"related-academic-programs":[],"related-groups":[],"related-projects":[689607],"related-events":[],"related-researchers":[{"type":"user_nicename","value":"Krzysztof Maziarz","user_id":38955,"display_name":"Krzysztof Maziarz","author_link":"Krzysztof Maziarz<\/a>","is_active":false,"last_first":"Maziarz, Krzysztof","people_section":0,"alias":"krmaziar"},{"type":"user_nicename","value":"Marwin Segler","user_id":40300,"display_name":"Marwin Segler","author_link":"Marwin Segler<\/a>","is_active":false,"last_first":"Segler, Marwin","people_section":0,"alias":"marwinsegler"}],"msr_type":"Post","featured_image_thumbnail":"","byline":"Krzysztof Maziarz<\/a>, Marc Brockschmidt, and Marwin Segler<\/a>","formattedDate":"April 27, 2022","formattedExcerpt":"Drug discovery has come a long way from its roots in serendipity. 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